2,4,6,8-tetramethyl-2,4,6,8-tetrakis(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

• ChemBase编号: 99711
• 分子式: C16H28F12O4Si4
• 平均质量: 624.7139584
• 单一同位素质量: 624.08730414
• SMILES: [Si]1(O[Si](C)(CCC(F)(F)F)O[Si](CCC(F)(F)F)(C)O[Si](O1)(CCC(F)(F)F)C)(CCC(F)(F)F)C
• Canonical SMILES: FC(CC[Si]1(C)O[Si](C)(CCC(F)(F)F)O[Si](O[Si](O1)(C)CCC(F)(F)F)(C)CCC(F)(F)F)(F)F
• InChI: InChI=1S/C16H28F12O4Si4/c1-33(9-5-13(17,18)19)29-34(2,10-6-14(20,21)22)31-36(4,12-8-16(26,27)28)32-35(3,30-33)11-7-15(23,24)25/h5-12H2,1-4H3
• InChIKey: XOVNCWWRDSAYNE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
• IUPAC传统名: 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
• 别名: Tetramethyl tetra-3-trifluoropropyl cyclotetrasiloxane

登记号

• MDL号: MFCD00069177
• PubChem SID: 162085968
• PubChem CID: 67934

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.8932
• LogD (pH = 7.4): 5.8932
• Log P: 5.8932
• 摩尔折射率: 92.242 cm^3
• 极化性: 42.73881 Å^3
• 极化表面积: 36.92 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant