Summary

IMPPAT Phytochemical identifier: IMPHY015975

Phytochemical name: Tridecyloxirane

Synonymous chemical names:
tridecyloxirane

External chemical identifiers:
CID:86768, FDASRS:V2LL9HNF94, SureChEMBL:SCHEMBL284297, MolPort-006-122-684

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC1CO1

InChI:
InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16-15/h15H,2-14H2,1H3

InChIKey:
QMIBIXKZPBEGTE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCO3

Functional groups:
CC1CO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CO1

Scaffold Graph/Node level:
C1CO1

Scaffold Graph level:
C1CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Epoxides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 0.692

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Chemical structure download