cyclopentane-1,2-diol

• ChemBase ID: 273972
• Molecular Formular: C5H10O2
• Molecular Mass: 102.1317
• Monoisotopic Mass: 102.06807956
• SMILES: C1(C(O)CCC1)O
• Canonical SMILES: OC1CCCC1O
• InChI: InChI=1S/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2
• InChIKey: VCVOSERVUCJNPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentane-1,2-diol
• IUPAC Traditional name: cyclopentane-1,2-diol
• Synonyms: cyclopentane-1,2-diol

Database IDs

• MDL Number: MFCD00797992
• PubChem SID: 164329882
• PubChem CID: 95497

CALCULATED PROPERTIES

• Acid pKa: 13.909582
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.23877881
• LogD (pH = 7.4): -0.23877895
• Log P: -0.23877881
• Molar Refractivity: 26.036 cm^3
• Polarizability: 10.47515 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.526

Product Information

• Purity: 95%