Summary

IMPPAT Phytochemical identifier: IMPHY016968

Phytochemical name: Cyclohexadecene

Synonymous chemical names:
cyclohexadecene

External chemical identifiers:
CID:10933071, SureChEMBL:SCHEMBL109391

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Chemical structure information

SMILES:
C1CCCCCCC/C=CCCCCCC1

InChI:
InChI=1S/C16H30/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-2H,3-16H2/b2-1-

InChIKey:
ILAJTKAKMVQGNJ-UPHRSURJSA-N

DeepSMILES:
CCCCCCCC/C=CCCCCCC%16

Functional groups:
C/C=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCCCCCCCCCCCC1

Scaffold Graph/Node level:
C1CCCCCCCCCCCCCCC1

Scaffold Graph level:
C1CCCCCCCCCCCCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Olefins

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 0.235

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Chemical structure download