Summary

IMPPAT Phytochemical identifier: IMPHY015585

Phytochemical name: Cyclohexadecane

Synonymous chemical names:
cyclohexadecane

External chemical identifiers:
CID:67526, SureChEMBL:SCHEMBL173428

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Chemical structure information

SMILES:
C1CCCCCCCCCCCCCCC1

InChI:
InChI=1S/C16H32/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-16H2

InChIKey:
JJWIOXUMXIOXQN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC%16

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCCCCCCCCCCCC1

Scaffold Graph/Node level:
C1CCCCCCCCCCCCCCC1

Scaffold Graph level:
C1CCCCCCCCCCCCCCC1

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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: -0.015

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Chemical structure download