3-(3-methylcyclohexyl)cyclohex-2-en-1-ol

C13H22O — CID 65177378

IUPAC3-(3-methylcyclohexyl)cyclohex-2-en-1-ol
SMILESCC1CCCC(C2=CC(O)CCC2)C1
InChIInChI=1S/C13H22O/c1-10-4-2-5-11(8-10)12-6-3-7-13(14)9-12/h9-11,13-14H,2-8H2,1H3
InChIKeyHDOROXQYRBQIDQ-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.28
Rot. Bonds1

About 3-(3-methylcyclohexyl)cyclohex-2-en-1-ol

3-(3-methylcyclohexyl)cyclohex-2-en-1-ol (PubChem CID 65177378) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)cyclohex-2-en-1-ol
PubChem CID65177378
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name3-(3-methylcyclohexyl)cyclohex-2-en-1-ol
SMILESCC1CCCC(C2=CC(O)CCC2)C1
InChIInChI=1S/C13H22O/c1-10-4-2-5-11(8-10)12-6-3-7-13(14)9-12/h9-11,13-14H,2-8H2,1H3
InChIKeyHDOROXQYRBQIDQ-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexyl)cyclohex-2-en-1-ol?
The IUPAC name of 3-(3-methylcyclohexyl)cyclohex-2-en-1-ol (CID 65177378) is 3-(3-methylcyclohexyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 3-(3-methylcyclohexyl)cyclohex-2-en-1-ol?
The canonical SMILES for 3-(3-methylcyclohexyl)cyclohex-2-en-1-ol is CC1CCCC(C2=CC(O)CCC2)C1.
What is the InChIKey of 3-(3-methylcyclohexyl)cyclohex-2-en-1-ol?
The InChIKey is HDOROXQYRBQIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-10-4-2-5-11(8-10)12-6-3-7-13(14)9-12/h9-11,13-14H,2-8H2,1H3.
What are the key properties of 3-(3-methylcyclohexyl)cyclohex-2-en-1-ol?
3-(3-methylcyclohexyl)cyclohex-2-en-1-ol has a molecular weight of 194.32 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 65177378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).