(4S)-4,6-bis[(tert-butyldimethylsilyl)oxy]-3,3-dimethylhexan-2-one

• ChemBase编号: 162214
• 分子式: C20H44O3Si2
• 平均质量: 388.73256
• 单一同位素质量: 388.28289833
• SMILES: CC(=O)C([C@@H](O[Si](C)(C(C)(C)C)C)CCO[Si](C)(C)C(C)(C)C)(C)C
• Canonical SMILES: CC(=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/C20H44O3Si2/c1-16(21)20(8,9)17(23-25(12,13)19(5,6)7)14-15-22-24(10,11)18(2,3)4/h17H,14-15H2,1-13H3/t17-/m0/s1
• InChIKey: AACGCDKKIYMEBI-KRWDZBQOSA-N

名称和登记号

名称

• IUPAC标准名: (4S)-4,6-bis[(tert-butyldimethylsilyl)oxy]-3,3-dimethylhexan-2-one
• IUPAC传统名: (4S)-4,6-bis[(tert-butyldimethylsilyl)oxy]-3,3-dimethylhexan-2-one
• 别名: (4S)-4,6-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3,3-dimethyl-2-hexanone; (4S)-4,6-Bis-{[tert-butyldimethylsilyl)oxy]}-3,3-dimethylhexan-2-one

登记号

• CAS号: 218614-14-3
• PubChem SID: 162256349
• PubChem CID: 11257750

理论计算性质

• Acid pKa: 19.15146
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.0391
• LogD (pH = 7.4): 6.0391
• Log P: 6.0391
• 摩尔折射率: 102.196 cm^3
• 极化性: 44.885727 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 10
• 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