Summary

IMPPAT Phytochemical identifier: IMPHY017473

Phytochemical name: 3-Methyl-3,4-divinylcyclohexene

Synonymous chemical names:
cyclohexene-3,4-diethenyl-3-methyl

External chemical identifiers:
CID:556488

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Chemical structure information

SMILES:
C=CC1CCC=CC1(C)C=C

InChI:
InChI=1S/C11H16/c1-4-10-8-6-7-9-11(10,3)5-2/h4-5,7,9-10H,1-2,6,8H2,3H3

InChIKey:
WRNRNPOLSGTBHQ-UHFFFAOYSA-N

DeepSMILES:
C=CCCCC=CC6C)C=C

Functional groups:
C=CC, CC=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Olefins

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Elemane sesquiterpenoids

NP-Likeness score: 2.496

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Chemical structure download