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Common name


methoprene

Formula


C19H34O3

CAS


40596-69-8

IUPAC name


1-methylethyl (2E,4E)-11-methoxy-3,7,11-trimethyl-2,4-dodecadienoate

SMILES


CC(C)OC(=O)/C=C(\C)/C=C/CC(C)CCCC(C)(C)OC

INCHI


InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+

Physicochemical Properties

Molecular weight:

310.471

Molar refractivity:

92.631

Num. bonds:

21

Num. double bonds:

3

Num. triple bonds:

0

Num. heavy atoms:

22

Num. nitrogen atom:

0

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

21.03

Lipophilicity

ALogP:

2.198

MLogP:

3.22

XLogP:

5.905

Water Solubility

CLogS:

-3.949

Geometric

PPSA-1:

686.683

PNSA-1:

180.479

RPCS:

3.023

RNCS:

2.467

THSA:

788.828

TPSA:

78.333

RHSA:

0.91

RPSA:

0.09

Electrostatic

RPCG:

0.18

RNCG:

0.238

Flexibility

Num. Rot. bonds:

11

Frac. of Rot. bonds:

0.524

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

8

topoDiameter:

15

TopoPSA:

35.53
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.634

QEI:

0.674

Gau:

6.31