Summary

IMPPAT Phytochemical identifier: IMPHY016594

Phytochemical name: 3-(2-Methylpropyl)-cyclohexene

Synonymous chemical names:
cyclohexene, 3-(2-methylpropyl)-

External chemical identifiers:
CID:20057, ChEBI:88554, SureChEMBL:SCHEMBL1524643

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Chemical structure information

SMILES:
CC(CC1CCCC=C1)C

InChI:
InChI=1S/C10H18/c1-9(2)8-10-6-4-3-5-7-10/h4,6,9-10H,3,5,7-8H2,1-2H3

InChIKey:
NVLNRIBMCIJLQD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC=C6)))))))C

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: 1.424

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Chemical structure download