CAS 674786-75-5|ethyl 3-(2-ethoxy-2-oxoethyl)-5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-2-oxooxolane-3-carboxylate|ethyl 3-(2-ethoxy-2-oxoethyl)-5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9...

基本信息

化学结构

分子式

C₂₀H₁₇F₁₇O₆

分子量

676.3182344

精确质量

676.075368

电荷

InChI

InChI=1S/C20H17F17O6/c1-3-41-9(38)7-12(10(39)42-4-2)5-8(43-11(12)40)6-13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h8H,3-7H2,1-2H3

InChIKey

ZXPKQENNVJKVQL-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)C1(CC(OC1=O)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)OCC

Isomeric Smiles

C1C(C(=O)OC1CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC(=O)OCC)C(=O)OCC

计算属性

JChem

Acid pKa

17.80294

质子受体

质子供体

LogD (pH = 5.5)

6.7596407

LogD (pH = 7.4)

6.7596407

Log P

6.7596407

摩尔折射率

98.6507

极化性

38.42172

极化表面积

78.9

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

别名

3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)- -butyrolactone3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)-gamma-butyrolactone

IUPAC标准名

ethyl 3-(2-ethoxy-2-oxoethyl)-5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-2-oxooxolane-3-carboxylate

IUPAC传统名

ethyl 3-(2-ethoxy-2-oxoethyl)-5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-2-oxooxolane-3-carboxylate

名称和标识

数据登录号

MDL号

MFCD01632721

CAS号

674786-75-5

PubChem SID

160975178