3-propan-2-ylcyclopentane-1,2-diol

C8H16O2 — CID 57011590

IUPAC3-propan-2-ylcyclopentane-1,2-diol
SMILESCC(C)C1CCC(O)C1O
InChIInChI=1S/C8H16O2/c1-5(2)6-3-4-7(9)8(6)10/h5-10H,3-4H2,1-2H3
InChIKeyPYOAZFIJHILFJA-UHFFFAOYSA-N
MW144.21 g/mol
LogP0.77
Rot. Bonds1

About 3-propan-2-ylcyclopentane-1,2-diol

3-propan-2-ylcyclopentane-1,2-diol (PubChem CID 57011590) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-propan-2-ylcyclopentane-1,2-diol.

Molecular Properties

Compound Name3-propan-2-ylcyclopentane-1,2-diol
PubChem CID57011590
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-propan-2-ylcyclopentane-1,2-diol
SMILESCC(C)C1CCC(O)C1O
InChIInChI=1S/C8H16O2/c1-5(2)6-3-4-7(9)8(6)10/h5-10H,3-4H2,1-2H3
InChIKeyPYOAZFIJHILFJA-UHFFFAOYSA-N
XLogP0.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-propan-2-ylcyclopentane-1,2-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 3-propan-2-ylcyclopentane-1,2-diol?
The IUPAC name of 3-propan-2-ylcyclopentane-1,2-diol (CID 57011590) is 3-propan-2-ylcyclopentane-1,2-diol.
What is the SMILES notation for 3-propan-2-ylcyclopentane-1,2-diol?
The canonical SMILES for 3-propan-2-ylcyclopentane-1,2-diol is CC(C)C1CCC(O)C1O.
What is the InChIKey of 3-propan-2-ylcyclopentane-1,2-diol?
The InChIKey is PYOAZFIJHILFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5(2)6-3-4-7(9)8(6)10/h5-10H,3-4H2,1-2H3.
What are the key properties of 3-propan-2-ylcyclopentane-1,2-diol?
3-propan-2-ylcyclopentane-1,2-diol has a molecular weight of 144.21 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylcyclopentane-1,2-diol is sourced from PubChem (CID 57011590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).