1-chloro-3-[(trimethylsilyl)oxy]propan-2-ol

• ChemBase ID: 179248
• Molecular Formular: C6H15ClO2Si
• Molecular Mass: 182.7206
• Monoisotopic Mass: 182.05298393
• SMILES: ClCC(CO[Si](C)(C)C)O
• Canonical SMILES: ClCC(CO[Si](C)(C)C)O
• InChI: InChI=1S/C6H15ClO2Si/c1-10(2,3)9-5-6(8)4-7/h6,8H,4-5H2,1-3H3
• InChIKey: NPDJQPWVRRDNTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-3-[(trimethylsilyl)oxy]propan-2-ol
• IUPAC Traditional name: 1-chloro-3-[(trimethylsilyl)oxy]propan-2-ol
• Synonyms: 1-O-Trimethylsilyl α-Monochlorohydrin; 1-O-Trimethylsilyl dl-Chlorohydrin; 1-O-Trimethylsilyl Glycerol Monochlorohydrin; 1-Chloro-3-[(trimethylsilyl)oxy]-2-propanol; rac 1-O-Trimethylsilyl 3-Chloro-1,2-propanediol

Database IDs

• PubChem SID: 164235158
• PubChem CID: 71752836

CALCULATED PROPERTIES

• Acid pKa: 13.63109
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6011
• LogD (pH = 7.4): 1.6010997
• Log P: 1.6011
• Molar Refractivity: 39.693 cm^3
• Polarizability: 17.911371 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane; Ethyl Acetate
• Apperance: Pale Yellow Oil