Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018308

Phytochemical name: Cyclodocosane, ethyl-

Synonymous chemical names:
Cyclodocosane, ethyl-

External chemical identifiers:
CID:CID_545756

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Chemical structure information

SMILES:
CCC1CCCCCCCCCCCCCCCCCCCCC1

InChI:
InChI=1S/C24H48/c1-2-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-24/h24H,2-23H2,1H3

InChIKey:
KWQCJDUIPGVKAU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCC%22

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCCCCCCCCCCCCCCCCCC1

Scaffold Graph/Node level:
C1CCCCCCCCCCCCCCCCCCCCC1

Scaffold Graph level:
C1CCCCCCCCCCCCCCCCCCCCC1

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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