4-cyclopentylbutanoic acid

• ChemBase ID: 284634
• Molecular Formular: C9H16O2
• Molecular Mass: 156.22214
• Monoisotopic Mass: 156.11502975
• SMILES: C(=O)(O)CCCC1CCCC1
• Canonical SMILES: OC(=O)CCCC1CCCC1
• InChI: InChI=1S/C9H16O2/c10-9(11)7-3-6-8-4-1-2-5-8/h8H,1-7H2,(H,10,11)
• InChIKey: YIDKMWJJCIUSPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopentylbutanoic acid
• IUPAC Traditional name: 4-cyclopentylbutanoic acid
• Synonyms: 4-cyclopentylbutanoic acid

Database IDs

• MDL Number: MFCD19677855
• PubChem SID: 180670165
• PubChem CID: 15984458

CALCULATED PROPERTIES

• Acid pKa: 5.004247
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9076204
• LogD (pH = 7.4): 0.15663347
• Log P: 2.5233266
• Molar Refractivity: 43.022 cm^3
• Polarizability: 17.092506 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.955

Product Information

• Purity: 95%