Summary

IMPPAT Phytochemical identifier: IMPHY012122

Phytochemical name: 2,2-Dimethyloxirane

Synonymous chemical names:
2,2-dimethyloxirane

External chemical identifiers:
CID:11208, ZINC:ZINC000001609008, FDASRS:UJ14MJ1WG0, SureChEMBL:SCHEMBL50056, MolPort-000-156-531

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Chemical structure information

SMILES:
CC1(C)OC1

InChI:
InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3

InChIKey:
GELKGHVAFRCJNA-UHFFFAOYSA-N

DeepSMILES:
CCC)OC3

Functional groups:
CC1(C)CO1

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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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 1.142

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Chemical structure download