oxolane-2-carbonyl chloride

• ChemBase ID: 263908
• Molecular Formular: C5H7ClO2
• Molecular Mass: 134.56088
• Monoisotopic Mass: 134.01345714
• SMILES: C(=O)(C1OCCC1)Cl
• Canonical SMILES: ClC(=O)C1CCCO1
• InChI: InChI=1S/C5H7ClO2/c6-5(7)4-2-1-3-8-4/h4H,1-3H2
• InChIKey: DVCFNCQPOANJGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolane-2-carbonyl chloride
• IUPAC Traditional name: oxolane-2-carbonyl chloride
• Synonyms: oxolane-2-carbonyl chloride

Database IDs

• MDL Number: MFCD09897727
• PubChem SID: 164319818
• PubChem CID: 551254

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.75361615
• LogD (pH = 7.4): 0.75361615
• Log P: 0.75361615
• Molar Refractivity: 30.2419 cm^3
• Polarizability: 11.950536 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.452

Product Information

• Purity: 95%