2-ethenyl-5-methylcyclohexan-1-ol

C9H16O — CID 58534305

IUPAC2-ethenyl-5-methylcyclohexan-1-ol
SMILESC=CC1CCC(C)CC1O
InChIInChI=1S/C9H16O/c1-3-8-5-4-7(2)6-9(8)10/h3,7-10H,1,4-6H2,2H3
InChIKeyNBRYCDPJGVDHNE-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.97
Rot. Bonds1

About 2-ethenyl-5-methylcyclohexan-1-ol

2-ethenyl-5-methylcyclohexan-1-ol (PubChem CID 58534305) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-ethenyl-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-ethenyl-5-methylcyclohexan-1-ol
PubChem CID58534305
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-ethenyl-5-methylcyclohexan-1-ol
SMILESC=CC1CCC(C)CC1O
InChIInChI=1S/C9H16O/c1-3-8-5-4-7(2)6-9(8)10/h3,7-10H,1,4-6H2,2H3
InChIKeyNBRYCDPJGVDHNE-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethenyl-4-methylcyclopentan-1-ol
CID 142139319
2-ethenylcyclopropan-1-ol
CID 54500145
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285
(1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol
CID 130130703
potassium 2,5-dimethylcyclohexan-1-ol
CID 18764424
lithium 2,5-dimethylcyclohexan-1-ol
CID 18764144
trans-(2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 130904144
cis-(1R,2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(1S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 161332933
trans-(1S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 10909792
1,3-dimethylcyclopentane;ethene;prop-1-ene
CID 143207581
(1R,2S,5R)-2-fluoro-5-methylcyclohexan-1-ol
CID 126641319

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-methylcyclohexan-1-ol?
The IUPAC name of 2-ethenyl-5-methylcyclohexan-1-ol (CID 58534305) is 2-ethenyl-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-ethenyl-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-ethenyl-5-methylcyclohexan-1-ol is C=CC1CCC(C)CC1O.
What is the InChIKey of 2-ethenyl-5-methylcyclohexan-1-ol?
The InChIKey is NBRYCDPJGVDHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-8-5-4-7(2)6-9(8)10/h3,7-10H,1,4-6H2,2H3.
What are the key properties of 2-ethenyl-5-methylcyclohexan-1-ol?
2-ethenyl-5-methylcyclohexan-1-ol has a molecular weight of 140.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-methylcyclohexan-1-ol is sourced from PubChem (CID 58534305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).