2-cyclopentylpropanoic acid

• ChemBase ID: 235148
• Molecular Formular: C8H14O2
• Molecular Mass: 142.19556
• Monoisotopic Mass: 142.09937969
• SMILES: C(=O)(C(C1CCCC1)C)O
• Canonical SMILES: CC(C(=O)O)C1CCCC1
• InChI: InChI=1S/C8H14O2/c1-6(8(9)10)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,9,10)
• InChIKey: HXUKLEOOKNOIJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentylpropanoic acid
• IUPAC Traditional name: 2-cyclopentylpropanoic acid
• Synonyms: 2-cyclopentylpropanoic acid

Database IDs

• MDL Number: MFCD08704263
• PubChem SID: 164291058
• PubChem CID: 12294728

CALCULATED PROPERTIES

• Acid pKa: 4.8948617
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4762579
• LogD (pH = 7.4): -0.29008132
• Log P: 2.1771755
• Molar Refractivity: 38.3945 cm^3
• Polarizability: 15.256077 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.206

Product Information

• Purity: 95%