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

• ChemBase编号: 163373
• 分子式: C10H24O2Si
• 平均质量: 204.38186
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 2-{[(tert-butyldimethylsilyl)oxy]methyl}(^2H₆)propan-2-ol
• IUPAC传统名: 2-{[(tert-butyldimethylsilyl)oxy]methyl}(^2H₆)propan-2-ol
• 别名: 1-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-methyl-2-propanol-d6; 1-[(tert-Butyldimethylsilyl)oxy]-2-methyl-2-propanol-d6

登记号

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

理论计算性质

• Acid pKa: 14.643914
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.0464
• LogD (pH = 7.4): 2.0464
• Log P: 2.0464
• 摩尔折射率: 53.4587 cm^3
• 极化性: 23.390564 Å^3
• 极化表面积: 29.46 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Acetone; Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• 外观: Pale-Yellow Oil
• 沸点: 42-45°C