1-cyclopentylpropan-2-one

• ChemBase ID: 242580
• Molecular Formular: C8H14O
• Molecular Mass: 126.19616
• Monoisotopic Mass: 126.10446507
• SMILES: O=C(CC1CCCC1)C
• Canonical SMILES: CC(=O)CC1CCCC1
• InChI: InChI=1S/C8H14O/c1-7(9)6-8-4-2-3-5-8/h8H,2-6H2,1H3
• InChIKey: YYJCNNFQNIAISZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentylpropan-2-one
• IUPAC Traditional name: 1-cyclopentylpropan-2-one
• Synonyms: 1-cyclopentylpropan-2-one

Database IDs

• MDL Number: MFCD00043473
• PubChem SID: 164298490
• PubChem CID: 136897

CALCULATED PROPERTIES

• Acid pKa: 19.606684
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9638149
• LogD (pH = 7.4): 1.9638149
• Log P: 1.9638149
• Molar Refractivity: 37.3711 cm^3
• Polarizability: 14.80832 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.883

Product Information

• Purity: 95%