cyclopentyl butanoate

• ChemBase ID: 107284
• Molecular Formular: C9H16O2
• Molecular Mass: 156.22214
• Monoisotopic Mass: 156.11502975
• SMILES: CCCC(=O)OC1CCCC1
• Canonical SMILES: CCCC(=O)OC1CCCC1
• InChI: InChI=1S/C9H16O2/c1-2-5-9(10)11-8-6-3-4-7-8/h8H,2-7H2,1H3
• InChIKey: OZORRWASBYZFPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl butanoate
• IUPAC Traditional name: cyclopentyl butanoate
• Synonyms: ETHYL CYCLOPENTYL ACETATE

Database IDs

• CAS Number: 6290-13-7
• PubChem SID: 162093017
• PubChem CID: 80503

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4223547
• LogD (pH = 7.4): 2.4223547
• Log P: 2.4223547
• Molar Refractivity: 43.0539 cm^3
• Polarizability: 17.343075 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05203205

MP Biomedicals Rare Chemical collection