butyl chloromethyl carbonate

• ChemBase ID: 249170
• Molecular Formular: C6H11ClO3
• Molecular Mass: 166.60274
• Monoisotopic Mass: 166.03967189
• SMILES: C(=O)(OCCl)OCCCC
• Canonical SMILES: CCCCOC(=O)OCCl
• InChI: InChI=1S/C6H11ClO3/c1-2-3-4-9-6(8)10-5-7/h2-5H2,1H3
• InChIKey: MBUCWFHXWNITCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl chloromethyl carbonate
• IUPAC Traditional name: butyl chloromethyl carbonate
• Synonyms: butyl chloromethyl carbonate

Database IDs

• MDL Number: MFCD19232413
• PubChem SID: 164305080
• PubChem CID: 15256996

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4794955
• LogD (pH = 7.4): 2.4794955
• Log P: 2.4794955
• Molar Refractivity: 37.5494 cm^3
• Polarizability: 15.194964 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.302

Product Information

• Purity: 95%