2-ethylidenecyclopentan-1-ol

C7H12O — CID 72740887

IUPAC2-ethylidenecyclopentan-1-ol
SMILESCC=C1CCCC1O
InChIInChI=1S/C7H12O/c1-2-6-4-3-5-7(6)8/h2,7-8H,3-5H2,1H3
InChIKeyAFGDORFZPDDTMH-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.48
Rot. Bonds

About 2-ethylidenecyclopentan-1-ol

2-ethylidenecyclopentan-1-ol (PubChem CID 72740887) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-ethylidenecyclopentan-1-ol.

Molecular Properties

Compound Name2-ethylidenecyclopentan-1-ol
PubChem CID72740887
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-ethylidenecyclopentan-1-ol
SMILESCC=C1CCCC1O
InChIInChI=1S/C7H12O/c1-2-6-4-3-5-7(6)8/h2,7-8H,3-5H2,1H3
InChIKeyAFGDORFZPDDTMH-UHFFFAOYSA-N
XLogP1.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethylidenecyclopentan-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 2-ethylidenecyclopentan-1-ol?
The IUPAC name of 2-ethylidenecyclopentan-1-ol (CID 72740887) is 2-ethylidenecyclopentan-1-ol.
What is the SMILES notation for 2-ethylidenecyclopentan-1-ol?
The canonical SMILES for 2-ethylidenecyclopentan-1-ol is CC=C1CCCC1O.
What is the InChIKey of 2-ethylidenecyclopentan-1-ol?
The InChIKey is AFGDORFZPDDTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-2-6-4-3-5-7(6)8/h2,7-8H,3-5H2,1H3.
What are the key properties of 2-ethylidenecyclopentan-1-ol?
2-ethylidenecyclopentan-1-ol has a molecular weight of 112.17 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidenecyclopentan-1-ol is sourced from PubChem (CID 72740887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).