Summary

IMPPAT Phytochemical identifier: IMPHY012281

Phytochemical name: 2-Methyl-2-vinyloxirane

Synonymous chemical names:
2-methyl-2-vinyloxirane

External chemical identifiers:
CID:92166, FDASRS:O364AQJ1K5, SureChEMBL:SCHEMBL346825, MolPort-001-790-247

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Chemical structure information

SMILES:
CC1(CO1)C=C

InChI:
InChI=1S/C5H8O/c1-3-5(2)4-6-5/h3H,1,4H2,2H3

InChIKey:
FVCDMHWSPLRYAB-UHFFFAOYSA-N

DeepSMILES:
CCCO3))C=C

Functional groups:
C=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: Acyclic monoterpenoids

NP-Likeness score: 2.635

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Chemical structure download