Summary

IMPPAT Phytochemical identifier: IMPHY017205

Phytochemical name: 3,5-Dimethylstyrene

Synonymous chemical names:
3, 5-dimethylstyrene

External chemical identifiers:
CID:21476, ZINC:ZINC000002012370, FDASRS:AYH9L3Z67Y, SureChEMBL:SCHEMBL181488

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Chemical structure information

SMILES:
C=Cc1cc(C)cc(c1)C

InChI:
InChI=1S/C10H12/c1-4-10-6-8(2)5-9(3)7-10/h4-7H,1H2,2-3H3

InChIKey:
XKMDZVINHIFHLY-UHFFFAOYSA-N

DeepSMILES:
C=CcccC)ccc6)C

Functional groups:
cC=C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Styrenes

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 0.227

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Chemical structure download