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Common name


juvenile hormone II

Formula


C17H28O3

CAS


34218-61-6

IUPAC name


methyl (2E,6E)-9-[(2R,3S)-3-ethyl-3-methyl-2-oxiranyl]-3,7-dimethyl-2,6-nonadienoate

SMILES


CC[C@@]1(C)[C@@H](CC/C(=C/CC/C(=C/C(=O)OC)/C)/C)O1

INCHI


InChI=1S/C17H28O3/c1-6-17(4)15(20-17)11-10-13(2)8-7-9-14(3)12-16(18)19-5/h8,12,15H,6-7,9-11H2,1-5H3/b13-8+,14-12+/t15-,17+/m1/s1

Physicochemical Properties

Molecular weight:

280.402

Molar refractivity:

80.072

Num. bonds:

20

Num. double bonds:

3

Num. triple bonds:

0

Num. heavy atoms:

20

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:

20.03

Lipophilicity

ALogP:

1.539

MLogP:

3

XLogP:

3.79

Water Solubility

CLogS:

-3.756

Geometric

PPSA-1:

558.021

PNSA-1:

152.026

RPCS:

1.516

RNCS:

6.745

THSA:

627.397

TPSA:

82.651

RHSA:

0.884

RPSA:

0.116

Electrostatic

RPCG:

0.192

RNCG:

0.246

Flexibility

Num. Rot. bonds:

9

Frac. of Rot. bonds:

0.45

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

1

Topological

topoRadius:

7

topoDiameter:

14

TopoPSA:

38.83
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

2.109

QEI:

0.831

Gau:

6.738