1-(hydroxymethyl)cyclopentan-1-ol

• ChemBase ID: 240665
• Molecular Formular: C6H12O2
• Molecular Mass: 116.15828
• Monoisotopic Mass: 116.08372962
• SMILES: C1(O)(CO)CCCC1
• Canonical SMILES: OCC1(O)CCCC1
• InChI: InChI=1S/C6H12O2/c7-5-6(8)3-1-2-4-6/h7-8H,1-5H2
• InChIKey: HBIQSLRAIUMVEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(hydroxymethyl)cyclopentan-1-ol
• IUPAC Traditional name: 1-(hydroxymethyl)cyclopentan-1-ol
• Synonyms: 1-(hydroxymethyl)cyclopentan-1-ol

Database IDs

• MDL Number: MFCD21182574
• PubChem SID: 164296575
• PubChem CID: 13347373

CALCULATED PROPERTIES

• Acid pKa: 13.867737
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.069791496
• LogD (pH = 7.4): 0.069791354
• Log P: 0.0697915
• Molar Refractivity: 30.8564 cm^3
• Polarizability: 12.306064 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.093

Product Information

• Purity: 95%