CAS 85857-16-5|(10E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol|11-(Perfluoro-n-octyl)undec-10-en-1-ol|(10E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19...

基本信息

化学结构

分子式

C₁₉H₂₁F₁₇O

分子量

588.3422944

精确质量

588.13209503

电荷

InChI

InChI=1S/C19H21F17O/c20-12(21,10-8-6-4-2-1-3-5-7-9-11-37)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h8,10,37H,1-7,9,11H2/b10-8+

InChIKey

MUCVGEGAZDOIDJ-CSKARUKUSA-N

Canonic Smiles

OCCCCCCCCC/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

Isomeric Smiles

C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(C(/C=C/CCCCCCCCCO)(F)F)(F)F)(F)F)(F)F)(F)F

计算属性

JChem

Acid pKa

16.843943

质子受体

质子供体

LogD (pH = 5.5)

9.268876

LogD (pH = 7.4)

9.268876

Log P

9.268876

摩尔折射率

93.668

极化性

34.517174

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

产品目录

学术数据

数据来源

名称和标识

别名

11-(Perfluoro-n-octyl)undec-10-en-1-ol11-(Perfluoro-n-octyl)undec-10-en-1-ol 97%

IUPAC传统名

(10E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol

IUPAC标准名

(10E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol

名称和标识

数据登录号

MDL号

CAS号

PubChem CID

PubChem SID

数据登录号