CAS 5466-77-3|CAS 83834-59-7|Octinoxate|Ethylhexyl methoxycinnamate|(E)-3-(4-methoxyphenyl) prop-2-enoic acid 2-ethylhexyl ester|parsol|Uvinul MC80|2-ethylhexyl (2E)-3-(4-methoxyphenyl)prop-2-enoate...

基本信息

化学结构

分子式

C₁₈H₂₆O₃

分子量

290.39724

精确质量

290.18819469

电荷

InChI

InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3

InChIKey

YBGZDTIWKVFICR-UHFFFAOYSA-N

Canonic Smiles

CCCCC(COC(=O)/C=C/c1ccc(cc1)OC)CC

Isomeric Smiles

O(c1ccc(cc1)/C=C/C(=O)OCC(CCCC)CC)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

5.3802204

LogD (pH = 7.4)

5.3802204

Log P

5.3802204

摩尔折射率

86.4404

极化性

33.703293

极化表面积

35.53

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

别名

(E)-3-(4-methoxyphenyl) prop-2-enoic acid 2-ethylhexyl esterOctinoxateUvinul MC80Octyl methoxycinnamateEthylhexyl methoxycinnamate反式-4-甲氧基肉桂酸异辛酯2-Ethylhexyl trans-4-methoxycinnamate2-Ethylhex-1-yl 3-(4-methoxyphenyl)prop-2-enoate2-Ethylhex-1-yl 3-(4-methoxyphenyl)acrylate2-Ethylhex-1-yl 4-methoxycinnamateOctyl methoxycinnamate2-Ethylhexyl 4-methoxycinnamateOMC4-Methoxycinnamic acid 2-ethylhexyl ester2-Ethylhexyl 3-(4-methoxyphenyl)acrylate2-Ethylhexyl 4-methoxycinnamateOctinoxate

IUPAC传统名

parsol 2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate

IUPAC标准名

2-ethylhexyl (2E)-3-(4-methoxyphenyl)prop-2-enoate 2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate

名称和标识

数据登录号

ATC码

D02BA02

美国药典/FDA物质标识码

4Y5P7MUD51

CAS号

5466-77-383834-59-7