2-cyclopentylpropan-2-ol

• ChemBase ID: 264093
• Molecular Formular: C8H16O
• Molecular Mass: 128.21204
• Monoisotopic Mass: 128.12011513
• SMILES: C(C1CCCC1)(O)(C)C
• Canonical SMILES: CC(C1CCCC1)(O)C
• InChI: InChI=1S/C8H16O/c1-8(2,9)7-5-3-4-6-7/h7,9H,3-6H2,1-2H3
• InChIKey: PEYUSJVZHOLNDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentylpropan-2-ol
• IUPAC Traditional name: 2-cyclopentylpropan-2-ol
• Synonyms: 2-cyclopentylpropan-2-ol

Database IDs

• MDL Number: MFCD07780533
• PubChem SID: 164320003
• PubChem CID: 239237

CALCULATED PROPERTIES

• Acid pKa: 19.318056
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8482891
• LogD (pH = 7.4): 1.8482893
• Log P: 1.8482893
• Molar Refractivity: 38.4623 cm^3
• Polarizability: 15.356882 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120 - 122°C
• Hydrophobicity(logP): 2.035

Product Information

• Purity: 95%