CAS 51-03-6|5-{[2-(2-butoxyethoxy)ethoxy]methyl}-6-propyl-2H-1,3-benzodioxole|PIPERONYL BUTOXIDE|piperonyl butoxide|4,5-Methylenedioxy-2-propylbenzyldiethyleneglycol butyl ether|3,4-亚甲二氧基-6-正丙...

基本信息

化学结构

分子式

C₁₉H₃₀O₅

分子量

338.4385

精确质量

338.20932406

电荷

InChI

InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3

InChIKey

FIPWRIJSWJWJAI-UHFFFAOYSA-N

Canonic Smiles

CCCCOCCOCCOCc1cc2OCOc2cc1CCC

Isomeric Smiles

CCCCOCCOCCOCc1cc2c(OCO2)cc1CCC

计算属性

JChem

LogD (pH = 7.4)

4.10

LogD (pH = 5.5)

4.10

Log P

4.10

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

13.58

极化表面积

46.15

极化性

40.44

摩尔折射率

93.60

LOG S

-4.55

数据来源

名称和标识

IUPAC标准名

5-{[2-(2-butoxyethoxy)ethoxy]methyl}-6-propyl-2H-1,3-benzodioxole

别名

PIPERONYL BUTOXIDE4,5-Methylenedioxy-2-propylbenzyldiethyleneglycol butyl ether3,4-亚甲二氧基-6-正丙基苄基正丁基二缩乙二醇醚2-(2-Butoxyethoxy)ethyl (6-propylpiperonyl) etherPiperonylbutoxide胡椒基丁醚增效醚5-[[2-(2-Butoxyethoxy)ethoxy]methyl]-6-propyl-1,3-benzodioxoleButacideENT-14250Piperonyl butoxide2-(2-butoxyethoxy)ethyl 6-propylpiperonyl ether(3,4-methylenedioxy-6-propylbenzyl) (butyl) diethylene glycol ether6-propylpiperonyl butyl diethylene glycol ether5-propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxolealpha-(2-(2-n-butoxyethoxy)-ethoxy)-4,5-methylenedioxy-2-propyltoluenebutyl carbitol 6-propylpiperonyl ether(butylcarbityl)(6-propylpiperonyl)etheralpha-[2-(2-butoxyethoxy)ethoxy]-4,5-(methylenedioxy)-2-propyltoluenepiperonyl butoxide

IUPAC传统名

piperonyl butoxide

名称和标识

数据登录号

KEGG ID

C18880

PubChem SID

1621030422485751124869144248990708147550

EC号

200-076-7

CHEMBL

1201131CHEMBL1201131