Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017984

Phytochemical name: 1,2-Epoxyoctadecane

Synonymous chemical names:
1,2-Epoxyoctadecane

External chemical identifiers:
CID:CID_23872, FDASRS:O8GK4E0CVL, SureChEMBL:SCHEMBL93394, Molport-006-118-711

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCC1CO1

InChI:
InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18/h18H,2-17H2,1H3

InChIKey:
QBJWYMFTMJFGOL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCO3

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: 0.583

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Chemical structure download