Summary

IMPPAT Phytochemical identifier: IMPHY012095

Phytochemical name: Cyclohexene

Synonymous chemical names:
cyclohexene

External chemical identifiers:
CID:8079, ChEMBL:CHEMBL16396, ChEBI:36404, ZINC:ZINC000013950911, FDASRS:12L0P8F7GN, SureChEMBL:SCHEMBL3005, MolPort-001-779-794

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Chemical structure information

SMILES:
C1CCC=CC1

InChI:
InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2

InChIKey:
HGCIXCUEYOPUTN-UHFFFAOYSA-N

DeepSMILES:
CCCC=CC6

Functional groups:
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: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 0.685

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Chemical structure download