Summary

IMPPAT Phytochemical identifier: IMPHY012110

Phytochemical name: Cyclooctane

Synonymous chemical names:
cyclooctane

External chemical identifiers:
CID:9266, ChEMBL:CHEMBL452651, ZINC:ZINC000044308163, FDASRS:KKZ3KBS654, SureChEMBL:SCHEMBL31262

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Chemical structure information

SMILES:
C1CCCCCCC1

InChI:
InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2

InChIKey:
WJTCGQSWYFHTAC-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC8

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCCCC1

Scaffold Graph/Node level:
C1CCCCCCC1

Scaffold Graph level:
C1CCCCCCC1

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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 esters

NP Classifier Class: Lactones

NP-Likeness score: -0.029

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Chemical structure download