methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontafluorooctadecanoate

• ChemBase编号: 9479
• 分子式: C19H3F35O2
• 平均质量: 928.170032
• 单一同位素质量: 927.95741704
• SMILES: 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)(C(C(C(C(C(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(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)(F)F)(F)F)(F)F
• InChI: InChI=1S/C19H3F35O2/c1-56-2(55)3(20,21)4(22,23)5(24,25)6(26,27)7(28,29)8(30,31)9(32,33)10(34,35)11(36,37)12(38,39)13(40,41)14(42,43)15(44,45)16(46,47)17(48,49)18(50,51)19(52,53)54/h1H3
• InChIKey: YUFOZPVITJRTPY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontafluorooctadecanoate
• IUPAC传统名: methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontafluorooctadecanoate
• 别名: Methyl perfluorooctadecanoate; Methyl perfluorooctadecanoate 95%

登记号

• CAS号: 16753-33-6
• MDL号: MFCD00236618
• PubChem SID: 160972786
• PubChem CID: 2775479

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 12.265161
• LogD (pH = 7.4): 12.265161
• Log P: 12.265161
• 摩尔折射率: 93.111 cm^3
• 极化性: 37.603977 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 18
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 135-138°C

安全信息

• 保存注意事项: FLAMMABLE; Flammable
• TSCA收录: false

产品相关信息

• 纯度: 95%