Summary

IMPPAT Phytochemical identifier: IMPHY017175

Phytochemical name: 2-Cyclohexyloctane

Synonymous chemical names:
2-cyclohexyloctane

External chemical identifiers:
CID:17901, SureChEMBL:SCHEMBL9213061

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Chemical structure information

SMILES:
CCCCCCC(C1CCCCC1)C

InChI:
InChI=1S/C14H28/c1-3-4-5-7-10-13(2)14-11-8-6-9-12-14/h13-14H,3-12H2,1-2H3

InChIKey:
IRKYBYIUHWZQGP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCC6))))))C

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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: 0.811

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Chemical structure download