2-{[(tert-butyldimethylsilyl)oxy]methyl}(2H6)propan-2-ol

• ChemBase ID: 163373
• Molecular Formular: C10H24O2Si
• Molecular Mass: 204.38186
• Monoisotopic Mass: 204.15455654
• SMILES: OC(CO[Si](C)(C)C(C)(C)C)(C)C
• Canonical SMILES: CC(CO[Si](C(C)(C)C)(C)C)(O)C
• InChI: InChI=1S/C10H24O2Si/c1-9(2,3)13(6,7)12-8-10(4,5)11/h11H,8H2,1-7H3
• InChIKey: IDVMUAUNSVBVGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(tert-butyldimethylsilyl)oxy]methyl}(^2H₆)propan-2-ol
• IUPAC Traditional name: 2-{[(tert-butyldimethylsilyl)oxy]methyl}(^2H₆)propan-2-ol
• Synonyms: 1-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-methyl-2-propanol-d6; 1-[(tert-Butyldimethylsilyl)oxy]-2-methyl-2-propanol-d6

Database IDs

• CAS Number: 1189732-27-1
• PubChem SID: 162257508
• PubChem CID: 45038514

CALCULATED PROPERTIES

• Acid pKa: 14.643914
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0464
• LogD (pH = 7.4): 2.0464
• Log P: 2.0464
• Molar Refractivity: 53.4587 cm^3
• Polarizability: 23.390564 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; Methanol
• Apperance: Pale-Yellow Oil
• Boiling Point: 42-45°C