2-cyclopentanecarbonyl-5-methylfuran

• ChemBase ID: 236199
• Molecular Formular: C11H14O2
• Molecular Mass: 178.22766
• Monoisotopic Mass: 178.09937969
• SMILES: c1(oc(cc1)C)C(=O)C1CCCC1
• Canonical SMILES: O=C(c1ccc(o1)C)C1CCCC1
• InChI: InChI=1S/C11H14O2/c1-8-6-7-10(13-8)11(12)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3
• InChIKey: VWPOAXFTOOFNBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentanecarbonyl-5-methylfuran
• IUPAC Traditional name: 2-cyclopentanecarbonyl-5-methylfuran
• Synonyms: 2-cyclopentanecarbonyl-5-methylfuran

Database IDs

• MDL Number: MFCD16087039
• PubChem SID: 164292109
• PubChem CID: 61713936

CALCULATED PROPERTIES

• Acid pKa: 16.64
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4596348
• LogD (pH = 7.4): 2.4596348
• Log P: 2.4596348
• Molar Refractivity: 50.6026 cm^3
• Polarizability: 19.337626 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.728

Product Information

• Purity: 95%