CAS 472-87-7|3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenal|Dehydroretinal|3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenal|α-retinene|Vi...

基本信息

化学结构

分子式

C₂₀H₂₆O

分子量

282.41984

精确质量

282.19836545

电荷

InChI

InChI=1S/C20H26O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,15H,14H2,1-5H3

InChIKey

QHNVWXUULMZJKD-UHFFFAOYSA-N

Canonic Smiles

O=C/C=C(/C=C/C=C(/C=C/C1=C(C)C=CCC1(C)C)\C)\C

Isomeric Smiles

O=C/C=C(/C=C/C=C(/C=C/C1=C(C=CCC1(C)C)C)\C)\C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

4.4938297

LogD (pH = 7.4)

4.4938297

Log P

4.4938297

摩尔折射率

97.982

极化性

35.562286

极化表面积

17.07

可自由旋转的化学键

里宾斯基五规则

true

数据来源

学术数据

产品目录

数据来源

名称和标识

IUPAC标准名

3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenal (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenal

别名

DehydroretinalVitamin A2 Aldehydetrans-3-DehydroretinalDehydroretinaldehyde3-Dehydro RetinalRetinene 2(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2,4,6,8-nonatetraenal

IUPAC传统名

3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenal α-retinene

名称和标识

数据登录号

Chemspider ID

PubChem CID

医学主题词(MeSH)

维基百科标题