ethyl 2-[(tert-butyldimethylsilyl)oxy]acetate

• ChemBase编号: 168447
• 分子式: C10H22O3Si
• 平均质量: 218.36538
• 单一同位素质量: 218.1338211
• SMILES: O(C(=O)CO[Si](C(C)(C)C)(C)C)CC
• Canonical SMILES: CCOC(=O)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C10H22O3Si/c1-7-12-9(11)8-13-14(5,6)10(2,3)4/h7-8H2,1-6H3
• InChIKey: VMYQJDCENDEETH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-[(tert-butyldimethylsilyl)oxy]acetate
• IUPAC传统名: ethyl 2-[(tert-butyldimethylsilyl)oxy]acetate
• 别名: 2-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]acetic Acid Ethyl Ester; Ethyl [(tert-Butyldimethylsilyl)oxy]acetate

登记号

• CAS号: 67226-78-2
• PubChem SID: 162262579
• PubChem CID: 11183578

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.2142
• LogD (pH = 7.4): 2.2142
• Log P: 2.2142
• 摩尔折射率: 53.7117 cm^3
• 极化性: 23.552006 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 6
• 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: Colorless Oil
• 沸点: 40-42°C

安全信息

• 保存条件: Refrigerator