3-chlorooxolane

• ChemBase ID: 273813
• Molecular Formular: C4H7ClO
• Molecular Mass: 106.55078
• Monoisotopic Mass: 106.01854252
• SMILES: O1CCC(Cl)C1
• Canonical SMILES: ClC1COCC1
• InChI: InChI=1S/C4H7ClO/c5-4-1-2-6-3-4/h4H,1-3H2
• InChIKey: FPHNWFFKQCPXPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07778396
• PubChem SID: 164329723
• PubChem CID: 524394

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.73724115
• LogD (pH = 7.4): 0.73724115
• Log P: 0.73724115
• Molar Refractivity: 24.9224 cm^3
• Polarizability: 9.938245 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.859

Product Information

• Purity: 95%