Oxirene

Oxirene
Names
	IUPAC name Oxirene
	Other names acetylene oxide, 1,2-epoxyethene, oxacyclopropene
Identifiers
CAS Number	157-18-6 ;
3D model (JSmol)	Interactive image;
PubChem CID	160438;
CompTox Dashboard (EPA)	DTXSID20166177 ;
	SMILES C1=CO1;
Properties
Chemical formula	C2H2O
Molar mass	42.04 g/mol
Related compounds
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Oxirene is a hypothesized heterocyclic chemical compound which contains an unsaturated three-membered ring containing two carbon atoms and one oxygen atom. As the configuration is extremely strained, no consensus exists whether the structure constitutes a molecule or whether it is merely a transition state.^[1] The substance is therefore mainly evaluated by molecular modeling techniques.

Experimental indications exist that oxirene (as intermediate or transition state) occurs in the Wolff rearrangement.

References

^ Mawhinney, Robert C; Goddard, John D (2003). "Assessment of density functional theory for the prediction of the nature of the oxirene stationary point". Journal of Molecular Structure: THEOCHEM. 629: 263. doi:10.1016/S0166-1280(03)00198-2.

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[1] Mawhinney, Robert C; Goddard, John D (2003). "Assessment of density functional theory for the prediction of the nature of the oxirene stationary point". Journal of Molecular Structure: THEOCHEM. 629: 263. doi:10.1016/S0166-1280(03)00198-2.

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