Bullvalene

Bullvalene is a hydrocarbon with the chemical formula C10H10. The molecule has a cage-like structure formed by the fusion of one cyclopropane and three cyclohepta-1,4-diene rings. Bullvalene is unusual as an organic molecule due to the C−C and C=C bonds forming and breaking rapidly on the NMR timescale; this property makes it a fluxional molecule.

Bullvalene
Names
Preferred IUPAC name
Tricyclo[3.3.2.02,8]deca-3,6,9-triene
Other names
Bullvalen
Identifiers
3D model (JSmol)
ChemSpider
PubChem CID
UNII
  • InChI=1S/C10H10/c1-4-8-9-5-2-7(1)3-6-10(8)9/h1-10H Y
    Key: UKFBVTJTKMSPMI-UHFFFAOYSA-N Y
  • InChI=1/C10H10/c1-4-8-9-5-2-7(1)3-6-10(8)9/h1-10H
    Key: UKFBVTJTKMSPMI-UHFFFAOYAK
SMILES
  • C\2=C\C/1\C=C/C3C(\C=C\1)C/23
Properties
C10H10
Molar mass 130.19 g/mol
Melting point 96 °C (205 °F; 369 K)
Boiling point decomposition at about 400 °C (752 °F; 673 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YN ?)
Infobox references
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