Summary

IMPPAT Phytochemical identifier: IMPHY017298

Phytochemical name: Cyclohexene, 4-propyl-

Synonymous chemical names:
cyclohexene 4-propyl-

External chemical identifiers:
CID:518777, SureChEMBL:SCHEMBL1525531

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Chemical structure information

SMILES:
CCCC1CCC=CC1

InChI:
InChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h3-4,9H,2,5-8H2,1H3

InChIKey:
KNEBOBXOCJOCIP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC=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-Likeness score: 0.727

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Chemical structure download