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CAS: 762-29-8 Molecular Formula: C18H30O Molecular Weight (g/mol): 262.437 MDL Number: MFCD00036517 InChI Key: LTUMRKDLVGQMJU-IUBLYSDUSA-N Synonym: farnesyl acetone,5e,9e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,farnesylacetone,e,e-farnesylacetone,unii-3s0g4n267h,e,e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,trans,trans-farnesylacetone,5,9,13-pentadecatrien-2-one, 6,10,14-trimethyl-, e,e,2,6,10-trimethyl-2,6,10-pentadecatrien-14-one,5,9,13-pentadecatriene-2-one, 6,10,14-trimethyl PubChem CID: 1711945 ChEBI: CHEBI:67252 IUPAC Name: (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one SMILES: CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C
PubChem CID | 1711945 |
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CAS | 762-29-8 |
Molecular Weight (g/mol) | 262.437 |
ChEBI | CHEBI:67252 |
MDL Number | MFCD00036517 |
SMILES | CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C |
Synonym | farnesyl acetone,5e,9e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,farnesylacetone,e,e-farnesylacetone,unii-3s0g4n267h,e,e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,trans,trans-farnesylacetone,5,9,13-pentadecatrien-2-one, 6,10,14-trimethyl-, e,e,2,6,10-trimethyl-2,6,10-pentadecatrien-14-one,5,9,13-pentadecatriene-2-one, 6,10,14-trimethyl |
IUPAC Name | (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one |
InChI Key | LTUMRKDLVGQMJU-IUBLYSDUSA-N |
Molecular Formula | C18H30O |
CAS: 13816-33-6 Molecular Formula: C10H11N Molecular Weight (g/mol): 145.205 MDL Number: MFCD00052966 InChI Key: YFDJCWXBKWRDPW-UHFFFAOYSA-N Synonym: 4-isopropylbenzonitrile,cuminyl nitrile,p-cyanocumene,benzonitrile, 4-1-methylethyl,cuminonitrile,cuminic nitrile,p-isopropylbenzonitrile,benzonitrile, p-isopropyl,4-1-methylethyl benzonitrile,4-propan-2-yl benzonitrile PubChem CID: 26289 IUPAC Name: 4-propan-2-ylbenzonitrile SMILES: CC(C)C1=CC=C(C=C1)C#N
PubChem CID | 26289 |
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CAS | 13816-33-6 |
Molecular Weight (g/mol) | 145.205 |
MDL Number | MFCD00052966 |
SMILES | CC(C)C1=CC=C(C=C1)C#N |
Synonym | 4-isopropylbenzonitrile,cuminyl nitrile,p-cyanocumene,benzonitrile, 4-1-methylethyl,cuminonitrile,cuminic nitrile,p-isopropylbenzonitrile,benzonitrile, p-isopropyl,4-1-methylethyl benzonitrile,4-propan-2-yl benzonitrile |
IUPAC Name | 4-propan-2-ylbenzonitrile |
InChI Key | YFDJCWXBKWRDPW-UHFFFAOYSA-N |
Molecular Formula | C10H11N |
CAS: 502-47-6 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.25 MDL Number: MFCD00002728 InChI Key: GJWSUKYXUMVMGX-UHFFFAOYNA-N Synonym: citronellic acid,3,7-dimethyl-6-octenoic acid,rhodinolic acid,citronellate,rhodinic acid,6-octenoic acid, 3,7-dimethyl,fema no. 3142,citronellicacid,callitrol,acmc-20apjr PubChem CID: 10402 ChEBI: CHEBI:80507 IUPAC Name: 3,7-dimethyloct-6-enoic acid SMILES: CC(CCC=C(C)C)CC(O)=O
PubChem CID | 10402 |
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CAS | 502-47-6 |
Molecular Weight (g/mol) | 170.25 |
ChEBI | CHEBI:80507 |
MDL Number | MFCD00002728 |
SMILES | CC(CCC=C(C)C)CC(O)=O |
Synonym | citronellic acid,3,7-dimethyl-6-octenoic acid,rhodinolic acid,citronellate,rhodinic acid,6-octenoic acid, 3,7-dimethyl,fema no. 3142,citronellicacid,callitrol,acmc-20apjr |
IUPAC Name | 3,7-dimethyloct-6-enoic acid |
InChI Key | GJWSUKYXUMVMGX-UHFFFAOYNA-N |
Molecular Formula | C10H18O2 |
CAS: 100-18-5 Molecular Formula: C12H18 Molecular Weight (g/mol): 162.28 MDL Number: MFCD00008892 InChI Key: SPPWGCYEYAMHDT-UHFFFAOYSA-N Synonym: 1,4-diisopropylbenzene,p-diisopropylbenzene,benzene, p-diisopropyl,benzene, 1,4-bis 1-methylethyl,para-diisopropylbenzene,p-diisopropylbenzol,1,4-bis 1-methylethyl benzene,unii-5m62031nzp,1,4-di propan-2-yl benzene,dsstox_cid_6652 PubChem CID: 7486 IUPAC Name: 1,4-di(propan-2-yl)benzene SMILES: CC(C)C1=CC=C(C=C1)C(C)C
PubChem CID | 7486 |
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CAS | 100-18-5 |
Molecular Weight (g/mol) | 162.28 |
MDL Number | MFCD00008892 |
SMILES | CC(C)C1=CC=C(C=C1)C(C)C |
Synonym | 1,4-diisopropylbenzene,p-diisopropylbenzene,benzene, p-diisopropyl,benzene, 1,4-bis 1-methylethyl,para-diisopropylbenzene,p-diisopropylbenzol,1,4-bis 1-methylethyl benzene,unii-5m62031nzp,1,4-di propan-2-yl benzene,dsstox_cid_6652 |
IUPAC Name | 1,4-di(propan-2-yl)benzene |
InChI Key | SPPWGCYEYAMHDT-UHFFFAOYSA-N |
Molecular Formula | C12H18 |
CAS: 89-78-1 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 MDL Number: MFCD00001484 InChI Key: NOOLISFMXDJSKH-IVZWLZJFSA-N Synonym: menthol,dl-menthol,2-isopropyl-5-methylcyclohexanol,menthyl alcohol,cyclohexanol, 5-methyl-2-1-methylethyl,p-menthan-3-ol,racementhol,caswell no. 540,3-p-menthol,+-neo-menthol PubChem CID: 6566020 IUPAC Name: (1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol SMILES: CC1CCC(C(C1)O)C(C)C
PubChem CID | 6566020 |
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CAS | 89-78-1 |
Molecular Weight (g/mol) | 156.269 |
MDL Number | MFCD00001484 |
SMILES | CC1CCC(C(C1)O)C(C)C |
Synonym | menthol,dl-menthol,2-isopropyl-5-methylcyclohexanol,menthyl alcohol,cyclohexanol, 5-methyl-2-1-methylethyl,p-menthan-3-ol,racementhol,caswell no. 540,3-p-menthol,+-neo-menthol |
IUPAC Name | (1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol |
InChI Key | NOOLISFMXDJSKH-IVZWLZJFSA-N |
Molecular Formula | C10H20O |
CAS: 89-68-9 Molecular Formula: C10H13ClO Molecular Weight (g/mol): 184.66 MDL Number: MFCD00002326 InChI Key: KFZXVMNBUMVKLN-UHFFFAOYSA-N Synonym: chlorothymol,6-chlorothymol,4-chloro-2-isopropyl-5-methylphenol,chlorthymol,4-chlorothymol,thymol, 6-chloro,phenol, 4-chloro-5-methyl-2-1-methylethyl,caswell no. 216,4-chloro-6-isopropyl-3-methylphenol,unii-lj25ti0cvt PubChem CID: 6982 IUPAC Name: 4-chloro-5-methyl-2-propan-2-ylphenol SMILES: CC(C)C1=CC(Cl)=C(C)C=C1O
PubChem CID | 6982 |
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CAS | 89-68-9 |
Molecular Weight (g/mol) | 184.66 |
MDL Number | MFCD00002326 |
SMILES | CC(C)C1=CC(Cl)=C(C)C=C1O |
Synonym | chlorothymol,6-chlorothymol,4-chloro-2-isopropyl-5-methylphenol,chlorthymol,4-chlorothymol,thymol, 6-chloro,phenol, 4-chloro-5-methyl-2-1-methylethyl,caswell no. 216,4-chloro-6-isopropyl-3-methylphenol,unii-lj25ti0cvt |
IUPAC Name | 4-chloro-5-methyl-2-propan-2-ylphenol |
InChI Key | KFZXVMNBUMVKLN-UHFFFAOYSA-N |
Molecular Formula | C10H13ClO |
CAS: 38462-22-5 Molecular Formula: C10H18OS Molecular Weight (g/mol): 186.313 MDL Number: MFCD00012393 InChI Key: RVOKNSFEAOYULQ-UHFFFAOYSA-N Synonym: p-mentha-8-thiol-3-one,8-mercaptomenthone,8-mercapto-p-menthan-3-one,thiomenthone,8-mercapto-p-menthane-3-one,cyclohexanone, 2-1-mercapto-1-methylethyl-5-methyl,2-1-mercapto-1-methylethyl-5-methylcyclohexanone,buchu mercaptan,5-methyl-2-2-sulfanylpropan-2-yl cyclohexan-1-one,2-1-mercapto-1-methylethyl-5-methylcyclohexan-1-one PubChem CID: 61982 IUPAC Name: 5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one SMILES: CC1CCC(C(=O)C1)C(C)(C)S
PubChem CID | 61982 |
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CAS | 38462-22-5 |
Molecular Weight (g/mol) | 186.313 |
MDL Number | MFCD00012393 |
SMILES | CC1CCC(C(=O)C1)C(C)(C)S |
Synonym | p-mentha-8-thiol-3-one,8-mercaptomenthone,8-mercapto-p-menthan-3-one,thiomenthone,8-mercapto-p-menthane-3-one,cyclohexanone, 2-1-mercapto-1-methylethyl-5-methyl,2-1-mercapto-1-methylethyl-5-methylcyclohexanone,buchu mercaptan,5-methyl-2-2-sulfanylpropan-2-yl cyclohexan-1-one,2-1-mercapto-1-methylethyl-5-methylcyclohexan-1-one |
IUPAC Name | 5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one |
InChI Key | RVOKNSFEAOYULQ-UHFFFAOYSA-N |
Molecular Formula | C10H18OS |
CAS: 689-67-8 Molecular Formula: C13H22O Molecular Weight (g/mol): 194.318 MDL Number: MFCD00008910 InChI Key: HNZUNIKWNYHEJJ-FMIVXFBMSA-N Synonym: geranylacetone,geranyl acetone,e-6,10-dimethylundeca-5,9-dien-2-one,trans-geranylacetone,5e-6,10-dimethylundeca-5,9-dien-2-one,geranylacetone, trans,dihydropseudoionone,6,10-dimethylundeca-5,9-dien-2-one,e-6,10-dimethyl-5,9-undecadien-2-one,unii-9b7ry79u9z PubChem CID: 1549778 ChEBI: CHEBI:67206 IUPAC Name: (5E)-6,10-dimethylundeca-5,9-dien-2-one SMILES: CC(=CCCC(=CCCC(=O)C)C)C
PubChem CID | 1549778 |
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CAS | 689-67-8 |
Molecular Weight (g/mol) | 194.318 |
ChEBI | CHEBI:67206 |
MDL Number | MFCD00008910 |
SMILES | CC(=CCCC(=CCCC(=O)C)C)C |
Synonym | geranylacetone,geranyl acetone,e-6,10-dimethylundeca-5,9-dien-2-one,trans-geranylacetone,5e-6,10-dimethylundeca-5,9-dien-2-one,geranylacetone, trans,dihydropseudoionone,6,10-dimethylundeca-5,9-dien-2-one,e-6,10-dimethyl-5,9-undecadien-2-one,unii-9b7ry79u9z |
IUPAC Name | (5E)-6,10-dimethylundeca-5,9-dien-2-one |
InChI Key | HNZUNIKWNYHEJJ-FMIVXFBMSA-N |
Molecular Formula | C13H22O |
CAS: 21293-29-8 Molecular Formula: C15H20O4 Molecular Weight (g/mol): 264.32 MDL Number: MFCD00066545,MFCD00066545,MFCD00075619 InChI Key: JLIDBLDQVAYHNE-YKALOCIXSA-N PubChem CID: 5280896 ChEBI: CHEBI:2365 IUPAC Name: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid SMILES: C\C(\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C)=C\C(O)=O
PubChem CID | 5280896 |
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CAS | 21293-29-8 |
Molecular Weight (g/mol) | 264.32 |
ChEBI | CHEBI:2365 |
MDL Number | MFCD00066545,MFCD00066545,MFCD00075619 |
SMILES | C\C(\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C)=C\C(O)=O |
IUPAC Name | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid |
InChI Key | JLIDBLDQVAYHNE-YKALOCIXSA-N |
Molecular Formula | C15H20O4 |
CAS: 6138-90-5 Molecular Formula: C10H17Br Molecular Weight (g/mol): 217.15 MDL Number: MFCD00000243 InChI Key: JSCUZAYKVZXKQE-JXMROGBWSA-N Synonym: geranyl bromide,e-1-bromo-3,7-dimethylocta-2,6-diene,2,6-octadiene, 1-bromo-3,7-dimethyl-, e,2,6-octadiene, 1-bromo-3,7-dimethyl-, 2e,geranylbromide,2e-1-bromo-3,7-dimethyl-2,6-octadiene,6e-8-bromo-2,6-dimethylocta-2,6-diene,1-bromo-3,7-dimethyl-2,6-octadiene,trans-geranyl bromide,e-geranyl bromide PubChem CID: 5365867 IUPAC Name: (2E)-1-bromo-3,7-dimethylocta-2,6-diene SMILES: CC(=CCCC(=CCBr)C)C
PubChem CID | 5365867 |
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CAS | 6138-90-5 |
Molecular Weight (g/mol) | 217.15 |
MDL Number | MFCD00000243 |
SMILES | CC(=CCCC(=CCBr)C)C |
Synonym | geranyl bromide,e-1-bromo-3,7-dimethylocta-2,6-diene,2,6-octadiene, 1-bromo-3,7-dimethyl-, e,2,6-octadiene, 1-bromo-3,7-dimethyl-, 2e,geranylbromide,2e-1-bromo-3,7-dimethyl-2,6-octadiene,6e-8-bromo-2,6-dimethylocta-2,6-diene,1-bromo-3,7-dimethyl-2,6-octadiene,trans-geranyl bromide,e-geranyl bromide |
IUPAC Name | (2E)-1-bromo-3,7-dimethylocta-2,6-diene |
InChI Key | JSCUZAYKVZXKQE-JXMROGBWSA-N |
Molecular Formula | C10H17Br |
CAS: 49623-71-4 Molecular Formula: C16H24O2 Molecular Weight (g/mol): 248.366 MDL Number: MFCD00015031 InChI Key: ULVHAZFBJJXIDO-UHFFFAOYSA-N Synonym: 2,4,6-triisopropylbenzoic acid,2,4,6-triisopropyl benzoic acid,2,4,6-tris 1-methylethyl benzoic acid,2,4,6-tri propan-2-yl benzoic acid,benzoic acid,2,4,6-tris 1-methylethyl,benzoic acid, 2,4,6-tris 1-methylethyl,2,4,6-tris methylethyl benzoic acid,acmc-20aoew,pubchem7877 PubChem CID: 96214 IUPAC Name: 2,4,6-tri(propan-2-yl)benzoic acid SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)O)C(C)C
PubChem CID | 96214 |
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CAS | 49623-71-4 |
Molecular Weight (g/mol) | 248.366 |
MDL Number | MFCD00015031 |
SMILES | CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)O)C(C)C |
Synonym | 2,4,6-triisopropylbenzoic acid,2,4,6-triisopropyl benzoic acid,2,4,6-tris 1-methylethyl benzoic acid,2,4,6-tri propan-2-yl benzoic acid,benzoic acid,2,4,6-tris 1-methylethyl,benzoic acid, 2,4,6-tris 1-methylethyl,2,4,6-tris methylethyl benzoic acid,acmc-20aoew,pubchem7877 |
IUPAC Name | 2,4,6-tri(propan-2-yl)benzoic acid |
InChI Key | ULVHAZFBJJXIDO-UHFFFAOYSA-N |
Molecular Formula | C16H24O2 |
CAS: 5989-27-5 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00062991 InChI Key: XMGQYMWWDOXHJM-JTQLQIEISA-N Synonym: d-limonene,+-limonene,r-+-limonene,+-4r-limonene,+-carvene,+-dipentene,citrene,+-p-mentha-1,8-diene,4r-limonene,d-+-limonene PubChem CID: 440917 ChEBI: CHEBI:15382 IUPAC Name: (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene SMILES: CC(=C)[C@@H]1CCC(C)=CC1
PubChem CID | 440917 |
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CAS | 5989-27-5 |
Molecular Weight (g/mol) | 136.24 |
ChEBI | CHEBI:15382 |
MDL Number | MFCD00062991 |
SMILES | CC(=C)[C@@H]1CCC(C)=CC1 |
Synonym | d-limonene,+-limonene,r-+-limonene,+-4r-limonene,+-carvene,+-dipentene,citrene,+-p-mentha-1,8-diene,4r-limonene,d-+-limonene |
IUPAC Name | (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene |
InChI Key | XMGQYMWWDOXHJM-JTQLQIEISA-N |
Molecular Formula | C10H16 |
CAS: 2244-16-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00062997 InChI Key: ULDHMXUKGWMISQ-VIFPVBQESA-N Synonym: d-carvone,+-carvone,s-+-carvone,s-carvone,s-2-methyl-5-prop-1-en-2-yl cyclohex-2-enone,+-s-carvone,carvone, +,d +-carvone,carvol,s-+-p-mentha-6,8-dien-2-one PubChem CID: 16724 ChEBI: CHEBI:15399 IUPAC Name: (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one SMILES: CC1=CCC(CC1=O)C(=C)C
PubChem CID | 16724 |
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CAS | 2244-16-8 |
Molecular Weight (g/mol) | 150.221 |
ChEBI | CHEBI:15399 |
MDL Number | MFCD00062997 |
SMILES | CC1=CCC(CC1=O)C(=C)C |
Synonym | d-carvone,+-carvone,s-+-carvone,s-carvone,s-2-methyl-5-prop-1-en-2-yl cyclohex-2-enone,+-s-carvone,carvone, +,d +-carvone,carvol,s-+-p-mentha-6,8-dien-2-one |
IUPAC Name | (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one |
InChI Key | ULDHMXUKGWMISQ-VIFPVBQESA-N |
Molecular Formula | C10H14O |
CAS: 826-39-1 Molecular Formula: C11H22ClN Molecular Weight (g/mol): 203.754 MDL Number: MFCD00151462 InChI Key: PKVZBNCYEICAQP-CIISUUNXSA-N Synonym: mecamylamine hcl,2-methylamino isocamphane hydrochloride,n,2,3,3-tetramethylbicyclo 2.2.1 heptan-2-amine hydrochloride,a: 600/1 223m072 melphalan hydrochloride 3223-07-2,1s,4r-n,2,3,3-tetramethylbicyclo 2.2.1 heptan-2-amine hydrochloride,mecamylamine hydrochloride, united states pharmacopeia usp reference standard PubChem CID: 25162921 IUPAC Name: (1R,4S)-N,2,2,3-tetramethylbicyclo[2.2.1]heptan-3-amine;hydrochloride SMILES: CC1(C2CCC(C2)C1(C)NC)C.Cl
PubChem CID | 25162921 |
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CAS | 826-39-1 |
Molecular Weight (g/mol) | 203.754 |
MDL Number | MFCD00151462 |
SMILES | CC1(C2CCC(C2)C1(C)NC)C.Cl |
Synonym | mecamylamine hcl,2-methylamino isocamphane hydrochloride,n,2,3,3-tetramethylbicyclo 2.2.1 heptan-2-amine hydrochloride,a: 600/1 223m072 melphalan hydrochloride 3223-07-2,1s,4r-n,2,3,3-tetramethylbicyclo 2.2.1 heptan-2-amine hydrochloride,mecamylamine hydrochloride, united states pharmacopeia usp reference standard |
IUPAC Name | (1R,4S)-N,2,2,3-tetramethylbicyclo[2.2.1]heptan-3-amine;hydrochloride |
InChI Key | PKVZBNCYEICAQP-CIISUUNXSA-N |
Molecular Formula | C11H22ClN |
CAS: 106-22-9 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.27 MDL Number: MFCD00002935 InChI Key: QMVPMAAFGQKVCJ-UHFFFAOYSA-N Synonym: citronellol,beta-citronellol,3,7-dimethyl-6-octen-1-ol,dl-citronellol,cephrol,elenol,6-octen-1-ol, 3,7-dimethyl,rodinol,2,3-dihydrogeraniol,2,6-dimethyl-2-octen-8-ol PubChem CID: 8842 ChEBI: CHEBI:50462 IUPAC Name: 3,7-dimethyloct-6-en-1-ol SMILES: CC(CCC=C(C)C)CCO
PubChem CID | 8842 |
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CAS | 106-22-9 |
Molecular Weight (g/mol) | 156.27 |
ChEBI | CHEBI:50462 |
MDL Number | MFCD00002935 |
SMILES | CC(CCC=C(C)C)CCO |
Synonym | citronellol,beta-citronellol,3,7-dimethyl-6-octen-1-ol,dl-citronellol,cephrol,elenol,6-octen-1-ol, 3,7-dimethyl,rodinol,2,3-dihydrogeraniol,2,6-dimethyl-2-octen-8-ol |
IUPAC Name | 3,7-dimethyloct-6-en-1-ol |
InChI Key | QMVPMAAFGQKVCJ-UHFFFAOYSA-N |
Molecular Formula | C10H20O |