Summary

IMPPAT Phytochemical identifier: IMPHY016815

Phytochemical name: 1,2-Epoxyheptane

Synonymous chemical names:
pentyloxirane

External chemical identifiers:
CID:92215, SureChEMBL:SCHEMBL50924, MolPort-009-684-495

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Chemical structure information

SMILES:
CCCCCC1CO1

InChI:
InChI=1S/C7H14O/c1-2-3-4-5-7-6-8-7/h7H,2-6H2,1H3

InChIKey:
NMOFYYYCFRVWBK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCO3

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-Likeness score: 1.251

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Chemical structure download