Summary

IMPPAT Phytochemical identifier: IMPHY015597

Phytochemical name: Cyclotetradecane

Synonymous chemical names:
cyclotetradecane

External chemical identifiers:
CID:67524, ChEBI:89715, ZINC:ZINC000059585752, FDASRS:O1MV54BB89, SureChEMBL:SCHEMBL161597

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Chemical structure information

SMILES:
C1CCCCCCCCCCCCC1

InChI:
InChI=1S/C14H28/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-14H2

InChIKey:
KATXJJSCAPBIOB-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCC%14

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCCCCCCCCCC1

Scaffold Graph/Node level:
C1CCCCCCCCCCCCC1

Scaffold Graph level:
C1CCCCCCCCCCCCC1

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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: -0.017

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Chemical structure download