3-(2-hydroxyethylidene)-1-methylcyclohexan-1-ol

C9H16O2 — CID 71347270

IUPAC3-(2-hydroxyethylidene)-1-methylcyclohexan-1-ol
SMILESCC1(O)CCCC(=CCO)C1
InChIInChI=1S/C9H16O2/c1-9(11)5-2-3-8(7-9)4-6-10/h4,10-11H,2-3,5-7H2,1H3
InChIKeyJGFOMPRQCVISCK-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.23
Rot. Bonds1

About 3-(2-hydroxyethylidene)-1-methylcyclohexan-1-ol

3-(2-hydroxyethylidene)-1-methylcyclohexan-1-ol (PubChem CID 71347270) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-(2-hydroxyethylidene)-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name3-(2-hydroxyethylidene)-1-methylcyclohexan-1-ol
PubChem CID71347270
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-(2-hydroxyethylidene)-1-methylcyclohexan-1-ol
SMILESCC1(O)CCCC(=CCO)C1
InChIInChI=1S/C9H16O2/c1-9(11)5-2-3-8(7-9)4-6-10/h4,10-11H,2-3,5-7H2,1H3
InChIKeyJGFOMPRQCVISCK-UHFFFAOYSA-N
XLogP1.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-hydroxyethylidene)-1-methylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylidene)-1-methylcyclohexan-1-ol?
The IUPAC name of 3-(2-hydroxyethylidene)-1-methylcyclohexan-1-ol (CID 71347270) is 3-(2-hydroxyethylidene)-1-methylcyclohexan-1-ol.
What is the SMILES notation for 3-(2-hydroxyethylidene)-1-methylcyclohexan-1-ol?
The canonical SMILES for 3-(2-hydroxyethylidene)-1-methylcyclohexan-1-ol is CC1(O)CCCC(=CCO)C1.
What is the InChIKey of 3-(2-hydroxyethylidene)-1-methylcyclohexan-1-ol?
The InChIKey is JGFOMPRQCVISCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-9(11)5-2-3-8(7-9)4-6-10/h4,10-11H,2-3,5-7H2,1H3.
What are the key properties of 3-(2-hydroxyethylidene)-1-methylcyclohexan-1-ol?
3-(2-hydroxyethylidene)-1-methylcyclohexan-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylidene)-1-methylcyclohexan-1-ol is sourced from PubChem (CID 71347270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).