Responsive image

Common name


d-limonene

Formula


C10H16

CAS


5989-27-5

IUPAC name


(4R)-1-methyl-4-(1-methylethenyl)cyclohexene

SMILES


C=C(C)[C@H]1CC=C(C)CC1

INCHI


InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1

Physicochemical Properties

Molecular weight:

136.234

Molar refractivity:

46.015

Num. bonds:

10

Num. double bonds:

2

Num. triple bonds:

0

Num. heavy atoms:

10

Num. nitrogen atom:

0

Num. oxygen atoms:

0

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

0

Num. H-bond donors:

0

Complexity of system:

10

Lipophilicity

ALogP:

2.142

MLogP:

2.56

XLogP:

3.729

Water Solubility

CLogS:

-2.257

Geometric

PPSA-1:

309.089

PNSA-1:

79.597

RPCS:

2.173

RNCS:

4.584

THSA:

388.686

TPSA:

0

RHSA:

1

RPSA:

0

Electrostatic

RPCG:

0.105

RNCG:

0.183

Flexibility

Num. Rot. bonds:

1

Frac. of Rot. bonds:

0.1

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

1

Topological

topoRadius:

3

topoDiameter:

6

TopoPSA:

0
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

3.708

QEI:

0.555

Gau:

3.639