2-(cyclopentyloxy)propanoic acid

• ChemBase ID: 274459
• Molecular Formular: C8H14O3
• Molecular Mass: 158.19496
• Monoisotopic Mass: 158.09429431
• SMILES: C(=O)(C(OC1CCCC1)C)O
• Canonical SMILES: CC(C(=O)O)OC1CCCC1
• InChI: InChI=1S/C8H14O3/c1-6(8(9)10)11-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,9,10)
• InChIKey: AFGBXZOYRLZLGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12145313
• PubChem SID: 164330369
• PubChem CID: 43424353

CALCULATED PROPERTIES

• Acid pKa: 4.200773
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.20804492
• LogD (pH = 7.4): -1.5069315
• Log P: 1.5259988
• Molar Refractivity: 40.0042 cm^3
• Polarizability: 15.984067 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.39

Product Information

• Purity: 95%