tert-butyl 4-[(tert-butyldimethylsilyl)oxy]-2-formylpyrrolidine-1-carboxylate

• ChemBase编号: 806243
• 分子式: C16H31NO4Si
• 平均质量: 329.50714
• 单一同位素质量: 329.20223501
• SMILES: N1(C(CC(C1)O[Si](C)(C)C(C)(C)C)C=O)C(=O)OC(C)(C)C
• Canonical SMILES: O=CC1CC(CN1C(=O)OC(C)(C)C)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C16H31NO4Si/c1-15(2,3)20-14(19)17-10-13(9-12(17)11-18)21-22(7,8)16(4,5)6/h11-13H,9-10H2,1-8H3
• InChIKey: FUDKXBTUIHSMIL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl 4-[(tert-butyldimethylsilyl)oxy]-2-formylpyrrolidine-1-carboxylate
• IUPAC传统名: tert-butyl 4-[(tert-butyldimethylsilyl)oxy]-2-formylpyrrolidine-1-carboxylate
• 别名: 4-(TERT-BUTYL-DIMETHYL-SILANYLOXY)-2-FORMYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

理论计算性质

• Acid pKa: 15.171903
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.3097
• LogD (pH = 7.4): 2.3097
• Log P: 2.3097
• 摩尔折射率: 83.3 cm^3
• 极化性: 35.096954 Å^3
• 极化表面积: 55.84 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%