Summary

IMPPAT Phytochemical identifier: IMPHY015136

Phytochemical name: 1,1-Dimethyl-3-methylene-2-vinylcyclohexane

Synonymous chemical names:
1,1-dimethyl-3-methylene-2-vinylcyclohexane, 2-ethenyl-1,1-dimethyl-3-methylene cyclohexane

External chemical identifiers:
CID:550088

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Chemical structure information

SMILES:
C=CC1C(=C)CCCC1(C)C

InChI:
InChI=1S/C11H18/c1-5-10-9(2)7-6-8-11(10,3)4/h5,10H,1-2,6-8H2,3-4H3

InChIKey:
YRBXRKRLOGXJAN-UHFFFAOYSA-N

DeepSMILES:
C=CCC=C)CCCC6C)C

Functional groups:
C=C(C)C, C=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 2.915

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Chemical structure download