cuneane
Sign in to saveCuneane () is a saturated hydrocarbon with the formula and a 3D structure resembling a wedge, hence the name. Cuneane may be produced from cubane by metal-ion-catalyzed σ-bond rearrangement. Similar reactions are known for () and bishomocubane ().
Wikidata facts
- Mass
- 104.0626
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- chemical formula
- C₈H₈
- canonical SMILES
- C12C3C4C3C5C4C1C25
- Commons category
- Cuneane
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3 sectionsContents
- Molecular geometry
- Derivatives
- References
Cuneane () is a saturated hydrocarbon with the formula and a 3D structure resembling a wedge, hence the name. Cuneane may be produced from cubane by metal-ion-catalyzed σ-bond rearrangement. Similar reactions are known for () and bishomocubane (). thumb|left|300px|Synthesis of cuneane from cubane
== Molecular geometry == The carbon atoms in the cuneane molecule form a hexahedron with point group C2v. The cuneane molecule has three kinds of equivalent carbon atoms (A, B, C), which have also been confirmed by NMR. The molecular graph of the carbon skeleton of cuneane is a regular graph with non-equivalent groups of vertices, and so it is a very important test object for different algorithms of mathematical chemistry. thumb|left|120px|Equivalent carbon atoms in cuneane
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