4-chloro-1,1-dimethoxybutane

• ChemBase ID: 164137
• Molecular Formular: C6H13ClO2
• Molecular Mass: 152.61922
• Monoisotopic Mass: 152.06040734
• SMILES: C(CCCCl)(OC)OC
• Canonical SMILES: ClCCCC(OC)OC
• InChI: InChI=1S/C6H13ClO2/c1-8-6(9-2)4-3-5-7/h6H,3-5H2,1-2H3
• InChIKey: LTLKJYMNUSSFAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-1,1-dimethoxybutane
• IUPAC Traditional name: 4-chloro-1,1-dimethoxybutane
• Synonyms: 4-Chloro-1,1-dimethoxy-butane; 1-Chloro-4,4-dimethoxybutane; 4,4-Dimethoxybutyl Chloride; 4-Chloro-1,1-dimethoxybutane; 4-Chlorobutyraldehyde Dimethyl Acetal; 4-Chlorobutanal Dimethyl Acetal 90%; 4-chloro-1,1-dimethoxybutane

Database IDs

• CAS Number: 29882-07-3
• MDL Number: MFCD09032953
• PubChem SID: 162258272
• PubChem CID: 122536

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4165628
• LogD (pH = 7.4): 1.4165628
• Log P: 1.4165628
• Molar Refractivity: 37.7573 cm^3
• Polarizability: 15.035788 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless Liquid
• Hydrophobicity(logP): 0.926

Product Information

• Purity: 95%