1-chloro-2,2-dimethoxypropane

• ChemBase ID: 272267
• Molecular Formular: C5H11ClO2
• Molecular Mass: 138.59264
• Monoisotopic Mass: 138.04475727
• SMILES: C(OC)(OC)(CCl)C
• Canonical SMILES: ClCC(OC)(OC)C
• InChI: InChI=1S/C5H11ClO2/c1-5(4-6,7-2)8-3/h4H2,1-3H3
• InChIKey: FTKKWGMMSYGKON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2,2-dimethoxypropane
• IUPAC Traditional name: 1-chloro-2,2-dimethoxypropane
• Synonyms: 1-chloro-2,2-dimethoxypropane

Database IDs

• MDL Number: MFCD18380636
• PubChem SID: 164328177
• PubChem CID: 12712314

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3160045
• LogD (pH = 7.4): 1.3160045
• Log P: 1.3160045
• Molar Refractivity: 33.1587 cm^3
• Polarizability: 13.214523 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.527

Product Information

• Purity: 95%