Summary

IMPPAT Phytochemical identifier: IMPHY017963

Phytochemical name: 2-Oxetanone,4,4-dimethyl

Synonymous chemical names:
2-oxetanone,4,4-dimethyl

Chemical structure information

SMILES:
O=C1CC(O1)(C)C

InChI:
InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3

InChIKey:
WHBGXDGQNOAWLX-UHFFFAOYSA-N

DeepSMILES:
O=CCCO4)C)C

Functional groups:
O=C1CCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCO1

Scaffold Graph/Node level:
OC1CCO1

Scaffold Graph level:
CC1CCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Beta propiolactones

NP-Likeness score: 1.504

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Chemical structure download