CAS 23031-36-9|2-methyl-4-oxo-3-(prop-2-yn-1-yl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate|ETOC|Prallethrin|(RS)-2-Methyl-4-oxo-3-prop-2-ynylcyclopent-2-en...

基本信息

化学结构

分子式

C₁₉H₂₄O₃

分子量

300.39206

精确质量

300.17254463

电荷

InChI

InChI=1S/C19H24O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h1,9,14,16-17H,8,10H2,2-6H3

InChIKey

SMKRKQBMYOFFMU-UHFFFAOYSA-N

Canonic Smiles

C#CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C

Isomeric Smiles

O=C1C(=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)C1)CC#C

计算属性

JChem

LogD (pH = 7.4)

3.55

LogD (pH = 5.5)

3.55

Log P

3.55

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

19.44

极化表面积

43.37

极化性

33.95

摩尔折射率

87.13

LOG S

-4.27

数据来源

名称和标识

IUPAC标准名

2-methyl-4-oxo-3-(prop-2-yn-1-yl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate

别名

Prallethrin(RS)-2-Methyl-4-oxo-3-prop-2-ynylcyclopent-2-enyl (1RS,3RS;1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate炔丙菊酯Prallethrin(RS)-2-甲基-4-氧代-3-丙-2-炔基环戊-2-烯基 (1RS,3RS;1RS,3SR)-2,2-二甲基-3-(2-甲基丙-1-烯基)环丙烷羧酸酯RethrinpropargylPrallethrinEtoc2,2-Dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylic Acid 2-Methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl EsterS 4068SFtrans-(±)-4-Hydroxy-3-methyl-2-(2-propynyl)-2-cyclopenten-1-one 2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate, (8CI)Acetylene C PermethrinS 4068d,d-T80-Prallethrinprallethrin

IUPAC传统名

ETOC

名称和标识

数据登录号

CAS号

KEGG ID

CHEBI ID

PubChem CID