2-(2-methylidenecyclohexyl)oxyethanol

C9H16O2 — CID 91281973

IUPAC2-(2-methylidenecyclohexyl)oxyethanol
SMILESC=C1CCCCC1OCCO
InChIInChI=1S/C9H16O2/c1-8-4-2-3-5-9(8)11-7-6-10/h9-10H,1-7H2
InChIKeyPYAIETJBKZSDFE-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.49
Rot. Bonds3

About 2-(2-methylidenecyclohexyl)oxyethanol

2-(2-methylidenecyclohexyl)oxyethanol (PubChem CID 91281973) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(2-methylidenecyclohexyl)oxyethanol.

Molecular Properties

Compound Name2-(2-methylidenecyclohexyl)oxyethanol
PubChem CID91281973
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(2-methylidenecyclohexyl)oxyethanol
SMILESC=C1CCCCC1OCCO
InChIInChI=1S/C9H16O2/c1-8-4-2-3-5-9(8)11-7-6-10/h9-10H,1-7H2
InChIKeyPYAIETJBKZSDFE-UHFFFAOYSA-N
XLogP1.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-methylidenecyclohexyl)oxyethanol 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 2-(2-methylidenecyclohexyl)oxyethanol?
The IUPAC name of 2-(2-methylidenecyclohexyl)oxyethanol (CID 91281973) is 2-(2-methylidenecyclohexyl)oxyethanol.
What is the SMILES notation for 2-(2-methylidenecyclohexyl)oxyethanol?
The canonical SMILES for 2-(2-methylidenecyclohexyl)oxyethanol is C=C1CCCCC1OCCO.
What is the InChIKey of 2-(2-methylidenecyclohexyl)oxyethanol?
The InChIKey is PYAIETJBKZSDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8-4-2-3-5-9(8)11-7-6-10/h9-10H,1-7H2.
What are the key properties of 2-(2-methylidenecyclohexyl)oxyethanol?
2-(2-methylidenecyclohexyl)oxyethanol has a molecular weight of 156.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidenecyclohexyl)oxyethanol is sourced from PubChem (CID 91281973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).