2-(hydroxymethyl)cyclohex-2-en-1-ol

C7H12O2 — CID 100975395

IUPAC2-(hydroxymethyl)cyclohex-2-en-1-ol
SMILESOCC1=CCCCC1O
InChIInChI=1S/C7H12O2/c8-5-6-3-1-2-4-7(6)9/h3,7-9H,1-2,4-5H2
InChIKeyVSHKUJMYRPOUPL-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.45
Rot. Bonds1

About 2-(hydroxymethyl)cyclohex-2-en-1-ol

2-(hydroxymethyl)cyclohex-2-en-1-ol (PubChem CID 100975395) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-(hydroxymethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)cyclohex-2-en-1-ol
PubChem CID100975395
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-(hydroxymethyl)cyclohex-2-en-1-ol
SMILESOCC1=CCCCC1O
InChIInChI=1S/C7H12O2/c8-5-6-3-1-2-4-7(6)9/h3,7-9H,1-2,4-5H2
InChIKeyVSHKUJMYRPOUPL-UHFFFAOYSA-N
XLogP0.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(hydroxymethyl)cyclohex-2-en-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-(hydroxymethyl)cyclohex-2-en-1-ol?
The IUPAC name of 2-(hydroxymethyl)cyclohex-2-en-1-ol (CID 100975395) is 2-(hydroxymethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 2-(hydroxymethyl)cyclohex-2-en-1-ol?
The canonical SMILES for 2-(hydroxymethyl)cyclohex-2-en-1-ol is OCC1=CCCCC1O.
What is the InChIKey of 2-(hydroxymethyl)cyclohex-2-en-1-ol?
The InChIKey is VSHKUJMYRPOUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-5-6-3-1-2-4-7(6)9/h3,7-9H,1-2,4-5H2.
What are the key properties of 2-(hydroxymethyl)cyclohex-2-en-1-ol?
2-(hydroxymethyl)cyclohex-2-en-1-ol has a molecular weight of 128.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 100975395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).