methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecanoate

• ChemBase编号: 98206
• 分子式: C16H3F29O2
• 平均质量: 778.1475128
• 单一同位素质量: 777.96699772
• SMILES: FC(C(C(C(C(C(C(C(C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: COC(=O)C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C16H3F29O2/c1-47-2(46)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)16(43,44)45/h1H3
• InChIKey: QHUMNQRKSPEXJP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecanoate
• IUPAC传统名: methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecanoate
• 别名: Methyl perfluoropentadecanoate 95%

登记号

• CAS号: 203303-00-8
• MDL号: MFCD00236619
• PubChem SID: 162084659
• PubChem CID: 2775483

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 10.163232
• LogD (pH = 7.4): 10.163232
• Log P: 10.163232
• 摩尔折射率: 79.107 cm^3
• 极化性: 31.853617 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Flammable