Summary

IMPPAT Phytochemical identifier: IMPHY016588

Phytochemical name: Pentylcyclohexane

Synonymous chemical names:
cyclohexane panthyl

External chemical identifiers:
CID:20284, ZINC:ZINC000002162325, SureChEMBL:SCHEMBL133404, MolPort-003-910-684

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Chemical structure information

SMILES:
CCCCCC1CCCCC1

InChI:
InChI=1S/C11H22/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-10H2,1H3

InChIKey:
HLTMUYBTNSVOFY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC6

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Cycloalkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.462

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Chemical structure download