4-[(tert-butyldimethylsilyl)oxy]cyclohex-1-en-1-yl trifluoromethanesulfonate

• ChemBase编号: 796440
• 分子式: C13H23F3O4SSi
• 平均质量: 360.4650296
• 单一同位素质量: 360.10384141
• SMILES: C(S(=O)(=O)OC1=CCC(CC1)O[Si](C)(C)C(C)(C)C)(F)(F)F
• Canonical SMILES: C[Si](C(C)(C)C)(OC1CCC(=CC1)OS(=O)(=O)C(F)(F)F)C
• InChI: InChI=1S/C13H23F3O4SSi/c1-12(2,3)22(4,5)20-11-8-6-10(7-9-11)19-21(17,18)13(14,15)16/h6,11H,7-9H2,1-5H3
• InChIKey: HOAIDAOBRMADDN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(tert-butyldimethylsilyl)oxy]cyclohex-1-en-1-yl trifluoromethanesulfonate
• IUPAC传统名: 4-[(tert-butyldimethylsilyl)oxy]cyclohex-1-en-1-yl trifluoromethanesulfonate
• 别名: 4-((tert-ButyldiMethylsilyl)oxy)cyclohex-1-en-1-yl trifluoroMethanesulfonate

登记号

• CAS号: 865869-24-5

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.0129
• LogD (pH = 7.4): 4.0129
• Log P: 4.0129
• 摩尔折射率: 75.4894 cm^3
• 极化性: 31.662863 Å^3
• 极化表面积: 52.6 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%