2-(cyclopentyloxy)acetic acid

• ChemBase ID: 259684
• Molecular Formular: C7H12O3
• Molecular Mass: 144.16838
• Monoisotopic Mass: 144.07864424
• SMILES: C(=O)(COC1CCCC1)O
• Canonical SMILES: OC(=O)COC1CCCC1
• InChI: InChI=1S/C7H12O3/c8-7(9)5-10-6-3-1-2-4-6/h6H,1-5H2,(H,8,9)
• InChIKey: JPUGGGCNNKXYCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopentyloxy)acetic acid
• IUPAC Traditional name: acetic acid, (cyclopentyloxy)-
• Synonyms: 2-(cyclopentyloxy)acetic acid

Database IDs

• CAS Number: 95832-60-3
• MDL Number: MFCD09930082
• PubChem SID: 164315594
• PubChem CID: 13355021

CALCULATED PROPERTIES

• Acid pKa: 4.149123
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.40971413
• LogD (pH = 7.4): -2.1101854
• Log P: 0.9572346
• Molar Refractivity: 35.5103 cm^3
• Polarizability: 14.158536 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.081

Product Information

• Purity: 95%