Summary

IMPPAT Phytochemical identifier: IMPHY017148

Phytochemical name: 2,6-Dimethylstyrene

Synonymous chemical names:
2,6-dimethylstyrene

External chemical identifiers:
CID:16266, ZINC:ZINC000002012372, SureChEMBL:SCHEMBL672658, MolPort-006-113-883

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Chemical structure information

SMILES:
C=Cc1c(C)cccc1C

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

InChIKey:
OWRKXOZFTROHSH-UHFFFAOYSA-N

DeepSMILES:
C=CccC)cccc6C

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: Shikimates and Phenylpropanoids

NP-Likeness score: 0.266

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Chemical structure download