CAS 307-46-0|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecan-1-ol|1H,1H-Perfluoroundecan-1-ol|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecan-1-ol|UNDECANOL...

基本信息

化学结构

分子式

C₁₁H₃F₂₁O

分子量

550.1073872

精确质量

549.98485734

电荷

InChI

InChI=1S/C11H3F21O/c12-2(13,1-33)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h33H,1H2

InChIKey

MPAMAEMOVKLPRB-UHFFFAOYSA-N

Canonic Smiles

OCC(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

Isomeric Smiles

C(C(C(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F

计算属性

JChem

Acid pKa

12.621079

质子受体

质子供体

LogD (pH = 5.5)

6.7423034

LogD (pH = 7.4)

6.742301

Log P

6.7423034

摩尔折射率

55.7234

极化性

22.248459

极化表面积

20.23

可自由旋转的化学键

里宾斯基五规则

false

数据来源

名称和标识

IUPAC标准名

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecan-1-ol

别名

1H,1H-Perfluoroundecan-1-olUNDECANOL-51H,1H-Perfluoroundecan-1-ol 95+%2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Henicosafluoro-1-hydroxyundecane2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Henicosafluoroundecan-1-ol2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heneicosafluoro-1-undecanol1H,1H-全氟辛基-1-醇

IUPAC传统名

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecan-1-ol

名称和标识

数据登录号

PubChem CID

PubChem SID

MDL号

CAS号