methyl (3S)-3,5-bis[(tert-butyldimethylsilyl)oxy]-2,2-dimethylpentanoate

• ChemBase编号: 173394
• 分子式: C20H44O4Si2
• 平均质量: 404.73196
• 单一同位素质量: 404.27781295
• SMILES: C([Si](OCC[C@@H](C(C(=O)OC)(C)C)O[Si](C(C)(C)C)(C)C)(C)C)(C)(C)C
• Canonical SMILES: COC(=O)C([C@@H](O[Si](C(C)(C)C)(C)C)CCO[Si](C(C)(C)C)(C)C)(C)C
• InChI: InChI=1S/C20H44O4Si2/c1-18(2,3)25(10,11)23-15-14-16(20(7,8)17(21)22-9)24-26(12,13)19(4,5)6/h16H,14-15H2,1-13H3/t16-/m0/s1
• InChIKey: HYLBEYMVUAJSHM-INIZCTEOSA-N

名称和登记号

名称

• IUPAC标准名: methyl (3S)-3,5-bis[(tert-butyldimethylsilyl)oxy]-2,2-dimethylpentanoate
• IUPAC传统名: methyl (3S)-3,5-bis[(tert-butyldimethylsilyl)oxy]-2,2-dimethylpentanoate
• 别名: (-)-Methyl (3S)-3,5-Bis-{[tert-butyldimethylsilyl)oxy]}-2,2-dimethylpentanoate

登记号

• CAS号: 218614-13-2
• PubChem SID: 164229304
• PubChem CID: 10982347

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.5236
• LogD (pH = 7.4): 5.5236
• Log P: 5.5236
• 摩尔折射率: 103.414 cm^3
• 极化性: 45.58059 Å^3
• 极化表面积: 44.76 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Dichloromethane; Ether; Ethyl Acetate; Hexane
• 外观: Colourless Oil