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Common name


epofenonane

Formula


C20H32O2

CAS


57342-02-6

IUPAC name


2-ethyl-3-[3-ethyl-5-(4-ethylphenoxy)pentyl]-2-methyloxirane

SMILES


CCc1ccc(cc1)OCCC(CC)CCC1C(C)(CC)O1

INCHI


InChI=1S/C20H32O2/c1-5-16-8-11-18(12-9-16)21-15-14-17(6-2)10-13-19-20(4,7-3)22-19/h8-9,11-12,17,19H,5-7,10,13-15H2,1-4H3

Physicochemical Properties

Molecular weight:

304.467

Molar refractivity:

89.496

Num. bonds:

23

Num. double bonds:

3

Num. triple bonds:

0

Num. heavy atoms:

22

Num. nitrogen atom:

0

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

1

Num. H-bond donors:

0

Complexity of system:

67.02

Lipophilicity

ALogP:

-0.224

MLogP:

3.44

XLogP:

5.504

Water Solubility

CLogS:

-6

Geometric

PPSA-1:

572.856

PNSA-1:

199.652

RPCS:

0.025

RNCS:

7.736

THSA:

730.446

TPSA:

42.063

RHSA:

0.946

RPSA:

0.054

Electrostatic

RPCG:

0.066

RNCG:

0.261

Flexibility

Num. Rot. bonds:

10

Frac. of Rot. bonds:

0.435

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

8

topoDiameter:

15

TopoPSA:

21.76
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.719

QEI:

0.513

Gau:

5.079