4-methylidenecyclohexane-1,1-diol

C7H12O2 — CID 89206181

IUPAC4-methylidenecyclohexane-1,1-diol
SMILESC=C1CCC(O)(O)CC1
InChIInChI=1S/C7H12O2/c1-6-2-4-7(8,9)5-3-6/h8-9H,1-5H2
InChIKeyYNHYZLVRPFVJNB-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.80
Rot. Bonds

About 4-methylidenecyclohexane-1,1-diol

4-methylidenecyclohexane-1,1-diol (PubChem CID 89206181) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-methylidenecyclohexane-1,1-diol.

Molecular Properties

Compound Name4-methylidenecyclohexane-1,1-diol
PubChem CID89206181
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name4-methylidenecyclohexane-1,1-diol
SMILESC=C1CCC(O)(O)CC1
InChIInChI=1S/C7H12O2/c1-6-2-4-7(8,9)5-3-6/h8-9H,1-5H2
InChIKeyYNHYZLVRPFVJNB-UHFFFAOYSA-N
XLogP0.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methylidenecyclohexane-1,1-diol 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 4-methylidenecyclohexane-1,1-diol?
The IUPAC name of 4-methylidenecyclohexane-1,1-diol (CID 89206181) is 4-methylidenecyclohexane-1,1-diol.
What is the SMILES notation for 4-methylidenecyclohexane-1,1-diol?
The canonical SMILES for 4-methylidenecyclohexane-1,1-diol is C=C1CCC(O)(O)CC1.
What is the InChIKey of 4-methylidenecyclohexane-1,1-diol?
The InChIKey is YNHYZLVRPFVJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-6-2-4-7(8,9)5-3-6/h8-9H,1-5H2.
What are the key properties of 4-methylidenecyclohexane-1,1-diol?
4-methylidenecyclohexane-1,1-diol has a molecular weight of 128.17 g/mol, XLogP of 0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenecyclohexane-1,1-diol is sourced from PubChem (CID 89206181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).