(5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol

C15H26O2 — CID 134827941

IUPAC(5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol
SMILESCC(C)=CCCC(C)(O)[C@H]1CC=C(C)C(O)C1
InChIInChI=1S/C15H26O2/c1-11(2)6-5-9-15(4,17)13-8-7-12(3)14(16)10-13/h6-7,13-14,16-17H,5,8-10H2,1-4H3/t13-,14?,15?/m0/s1
InChIKeyWDQFGPCEFJRFIP-NFOMZHRRSA-N
MW238.37 g/mol
LogP3.20
Rot. Bonds4

About (5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol

(5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol (PubChem CID 134827941) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol
PubChem CID134827941
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol
SMILESCC(C)=CCCC(C)(O)[C@H]1CC=C(C)C(O)C1
InChIInChI=1S/C15H26O2/c1-11(2)6-5-9-15(4,17)13-8-7-12(3)14(16)10-13/h6-7,13-14,16-17H,5,8-10H2,1-4H3/t13-,14?,15?/m0/s1
InChIKeyWDQFGPCEFJRFIP-NFOMZHRRSA-N
XLogP3.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
CID 130122942
(5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol
CID 15599953
methyl 4-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohexene-1-carboxylate
CID 14539943
6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
CID 123719125
(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
CID 14658574
(1R,2R,5R,6R)-2-hydroxy-2,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptan-3-one;2-[(1R)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol;2-[4-(hydroxymethyl)cyclohexyl]-6-methylhept-5-en-2-ol;(5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol;(5S)-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohex-2-en-1-ol
CID 158175002
(5R)-5-(1-hydroxybutan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol;(5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-2-methyl-5-(1-phenylsulfanylpentan-2-yl)cyclohex-2-en-1-one
CID 158143622
(E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid
CID 143944061
(2S)-6-methyl-2-[(1S)-2-[(Z)-prop-1-enyl]cyclopropyl]hept-5-en-2-ol
CID 10679910
3,7-dimethylocta-1,6-dien-3-yl acetate;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
CID 174813081
(1S,2E,6E,10R)-10-(2-hydroxy-6-methylhept-5-en-2-yl)-3,7-dimethylcyclodeca-2,6-dien-1-ol
CID 162890541
N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide
CID 25104904

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol?
The IUPAC name of (5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol (CID 134827941) is (5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol.
What is the SMILES notation for (5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol?
The canonical SMILES for (5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol is CC(C)=CCCC(C)(O)[C@H]1CC=C(C)C(O)C1.
What is the InChIKey of (5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol?
The InChIKey is WDQFGPCEFJRFIP-NFOMZHRRSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(2)6-5-9-15(4,17)13-8-7-12(3)14(16)10-13/h6-7,13-14,16-17H,5,8-10H2,1-4H3/t13-,14?,15?/m0/s1.
What are the key properties of (5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol?
(5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 134827941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).