2-methylcyclopentane-1,1,2-triol

C6H12O3 — CID 139968116

IUPAC2-methylcyclopentane-1,1,2-triol
SMILESCC1(O)CCCC1(O)O
InChIInChI=1S/C6H12O3/c1-5(7)3-2-4-6(5,8)9/h7-9H,2-4H2,1H3
InChIKeyJXXBKNBEOFQZLD-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.40
Rot. Bonds

About 2-methylcyclopentane-1,1,2-triol

2-methylcyclopentane-1,1,2-triol (PubChem CID 139968116) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-methylcyclopentane-1,1,2-triol.

Molecular Properties

Compound Name2-methylcyclopentane-1,1,2-triol
PubChem CID139968116
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-methylcyclopentane-1,1,2-triol
SMILESCC1(O)CCCC1(O)O
InChIInChI=1S/C6H12O3/c1-5(7)3-2-4-6(5,8)9/h7-9H,2-4H2,1H3
InChIKeyJXXBKNBEOFQZLD-UHFFFAOYSA-N
XLogP-0.40
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylcyclopentane-1,1,2-triol 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-methylcyclopentane-1,1,2-triol?
The IUPAC name of 2-methylcyclopentane-1,1,2-triol (CID 139968116) is 2-methylcyclopentane-1,1,2-triol.
What is the SMILES notation for 2-methylcyclopentane-1,1,2-triol?
The canonical SMILES for 2-methylcyclopentane-1,1,2-triol is CC1(O)CCCC1(O)O.
What is the InChIKey of 2-methylcyclopentane-1,1,2-triol?
The InChIKey is JXXBKNBEOFQZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-5(7)3-2-4-6(5,8)9/h7-9H,2-4H2,1H3.
What are the key properties of 2-methylcyclopentane-1,1,2-triol?
2-methylcyclopentane-1,1,2-triol has a molecular weight of 132.16 g/mol, XLogP of -0.40, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclopentane-1,1,2-triol is sourced from PubChem (CID 139968116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).