2-(trimethylsilyl)ethyl 4-(trifluoromethanesulfonyloxy)-1,2,3,6-tetrahydropyridine-1-carboxylate

• ChemBase编号: 294658
• 分子式: C12H20F3NO5SSi
• 平均质量: 375.4366096
• 单一同位素质量: 375.07835494
• SMILES: O=C(N1CCC(=CC1)OS(=O)(=O)C(F)(F)F)OCC[Si](C)(C)C
• Canonical SMILES: O=C(N1CCC(=CC1)OS(=O)(=O)C(F)(F)F)OCC[Si](C)(C)C
• InChI: InChI=1S/C12H20F3NO5SSi/c1-23(2,3)9-8-20-11(17)16-6-4-10(5-7-16)21-22(18,19)12(13,14)15/h4H,5-9H2,1-3H3
• InChIKey: UOCDXNSBOHQLFO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(trimethylsilyl)ethyl 4-(trifluoromethanesulfonyloxy)-1,2,3,6-tetrahydropyridine-1-carboxylate
• IUPAC传统名: 2-(trimethylsilyl)ethyl 4-(trifluoromethanesulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate
• 别名: 2-(Trimethylsilyl)ethyl 4-(((trifluoromethyl)sulfonyl)oxy)-5,6-dihydropyridine-1(2H)-carboxylate

登记号

• CAS号: 375854-77-6
• MDL号: MFCD16039327
• PubChem SID: 180680189
• PubChem CID: 60114393

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.8688
• LogD (pH = 7.4): 2.8688
• Log P: 2.8688
• 摩尔折射率: 74.6237 cm^3
• 极化性: 31.22456 Å^3
• 极化表面积: 72.91 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 95+%