3-benzoyloxolane

• ChemBase ID: 245785
• Molecular Formular: C11H12O2
• Molecular Mass: 176.21178
• Monoisotopic Mass: 176.08372962
• SMILES: C(=O)(C1COCC1)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)C1COCC1
• InChI: InChI=1S/C11H12O2/c12-11(10-6-7-13-8-10)9-4-2-1-3-5-9/h1-5,10H,6-8H2
• InChIKey: RSVDCXGFJUEGLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzoyloxolane
• IUPAC Traditional name: 3-benzoyloxolane
• Synonyms: 3-benzoyloxolane

Database IDs

• MDL Number: MFCD14610314
• PubChem SID: 164301695
• PubChem CID: 61272969

CALCULATED PROPERTIES

• Polarizability: 19.548346 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 14.386066
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6632379
• LogD (pH = 7.4): 1.6632379
• Log P: 1.6632379
• Molar Refractivity: 50.4565 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.437

Product Information

• Purity: 95%