1-[(tert-butyldimethylsilyl)oxy]-2-(2H3)methyl(3,3,3-2H3)propan-2-yl acetate

• ChemBase ID: 163372
• Molecular Formular: C12H26O3Si
• Molecular Mass: 246.41854
• Monoisotopic Mass: 246.16512122
• SMILES: O(C(CO[Si](C(C)(C)C)(C)C)(C)C)C(=O)C
• Canonical SMILES: CC(=O)OC(CO[Si](C(C)(C)C)(C)C)(C)C
• InChI: InChI=1S/C12H26O3Si/c1-10(13)15-12(5,6)9-14-16(7,8)11(2,3)4/h9H2,1-8H3
• InChIKey: BIKNFHFYZZINOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(tert-butyldimethylsilyl)oxy]-2-(^2H₃)methyl(3,3,3-^2H₃)propan-2-yl acetate
• IUPAC Traditional name: 1-[(tert-butyldimethylsilyl)oxy]-2-(^2H₃)methyl(3,3,3-^2H₃)propan-2-yl acetate
• Synonyms: 1-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-methyl-2-acetoxypropanol-d6; 1-[(tert-Butyldimethylsilyl)oxy]-2-methyl-2-acetoxypropanol-d6

Database IDs

• CAS Number: 1184976-30-4
• PubChem SID: 162257507
• PubChem CID: 45038513

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4755
• LogD (pH = 7.4): 2.4755
• Log P: 2.4755
• Molar Refractivity: 62.6102 cm^3
• Polarizability: 27.22626 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Colourless Oil