Summary

IMPPAT Phytochemical identifier: IMPHY017789

Phytochemical name: 1,5-Dimethylcyclopentene

Synonymous chemical names:
1,5-dimethylcyclopentene (or(e,e)-2,4-heptadiene)

External chemical identifiers:
CID:86014, SureChEMBL:SCHEMBL715768

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Chemical structure information

SMILES:
CC1=CCCC1C

InChI:
InChI=1S/C7H12/c1-6-4-3-5-7(6)2/h4,7H,3,5H2,1-2H3

InChIKey:
RIICRLQIUAAOOE-UHFFFAOYSA-N

DeepSMILES:
CC=CCCC5C

Functional groups:
CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC1

Scaffold Graph/Node level:
C1CCCC1

Scaffold Graph level:
C1CCCC1

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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 Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 2.373

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Chemical structure download