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|Prallethrin|ETOC|(RS)-2-Methyl-4-oxo-3-prop-2-ynylcyclopent-2-en...

General Information

Structure

Molecular Formula

C₁₉H₂₄O₃

Molecular Mass

300.39206

Exact Mass

300.17254463

Charge

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

Calculated Properties

JChem

LogD (pH = 7.4)

3.55

LogD (pH = 5.5)

3.55

Log P

3.55

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

19.44

Polar Surface Area

43.37

Polarizability

33.95

Molar Refractivity

87.13

LOG S

-4.27

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

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

Synonyms

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 Traditional name

ETOC

Names and Identifiers

Registration numbers

CAS Number

PubChem CID

Wikipedia Title

KEGG ID