CAS 84750-88-9|1,12-dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecanedioate|1,12-dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecanedioate|Dimethyl perflu...

基本信息

化学结构

分子式

C₁₄H₆F₂₀O₄

分子量

618.163104

精确质量

617.99467307

电荷

InChI

InChI=1S/C14H6F20O4/c1-37-3(35)5(15,16)7(19,20)9(23,24)11(27,28)13(31,32)14(33,34)12(29,30)10(25,26)8(21,22)6(17,18)4(36)38-2/h1-2H3

InChIKey

GHVIUCXUOSDTBP-UHFFFAOYSA-N

Canonic Smiles

COC(=O)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

Isomeric Smiles

C(=O)(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)OC

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

7.034464

LogD (pH = 7.4)

7.034464

Log P

7.034464

摩尔折射率

70.6568

极化性

28.351791

极化表面积

52.6

可自由旋转的化学键

里宾斯基五规则

false

数据来源

产品目录

学术数据

数据来源

名称和标识

IUPAC标准名

1,12-dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecanedioate

IUPAC传统名

1,12-dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecanedioate

别名

Dimethyl perfluoro-1,10-decanedicarboxylateDimethyl perfluorodecane-1,10-dicarboxylate 96%Eicosafluorododecanedioic acid dimethyl ester全氟-1,10- 癸二酸二甲酯Perfluoro-1,10-decanedicarboxylic acid dimethyl esterDimethyl perfluoro-1,10-decanedicarboxylate

名称和标识

数据登录号

PubChem SID

PubChem CID

MDL号

CAS号

数据登录号