4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl 2-methylprop-2-enoate

• ChemBase编号: 98791
• 分子式: C16H11F19O3
• 平均质量: 612.2264008
• 单一同位素质量: 612.04048039
• SMILES: FC(C(F)(C(F)(F)C(F)(F)C(C(CC(COC(=O)C(=C)C)O)(F)F)(F)F)F)(F)C(C(F)(F)F)(F)C(F)(F)F
• Canonical SMILES: OC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(=O)C(=C)C
• InChI: InChI=1S/C16H11F19O3/c1-5(2)7(37)38-4-6(36)3-8(17,18)10(20,21)12(24,25)14(28,29)13(26,27)11(22,23)9(19,15(30,31)32)16(33,34)35/h6,36H,1,3-4H2,2H3
• InChIKey: WNVNMSONKCMAPU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl 2-methylprop-2-enoate
• IUPAC传统名: 4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl 2-methylprop-2-enoate
• 别名: 3-(Perfluoro-7-methyloctyl)-2-hydroxypropyl methacrylate 97%

登记号

• CAS号: 88752-37-8
• MDL号: MFCD00236101
• PubChem SID: 162085156
• PubChem CID: 2776235

理论计算性质

• Acid pKa: 14.23213
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 7.246268
• LogD (pH = 7.4): 7.246268
• Log P: 7.246268
• 摩尔折射率: 79.9001 cm^3
• 极化性: 30.844893 Å^3
• 极化表面积: 46.53 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Flammable/Keep Cold

详细说明

Apollo Scientific Ltd - PC6122BJ

Isomeric mixture