|
gptkbp:instanceOf
|
gptkb:chemical_compound
|
|
gptkbp:application
|
high-energy materials research
pharmaceuticals research
|
|
gptkbp:aroma
|
odorless
|
|
gptkbp:boilingPoint
|
130 °C (sublimes)
|
|
gptkbp:bond_angle
|
90 degrees
|
|
gptkbp:category
|
polycyclic hydrocarbon
cage compound
|
|
gptkbp:chemicalFormula
|
C8H8
|
|
gptkbp:color
|
white (solid)
|
|
gptkbp:containsElement
|
carbon
hydrogen
|
|
gptkbp:crystalSystem
|
cubic
|
|
gptkbp:density
|
1.29 g/cm³
|
|
gptkbp:discoveredBy
|
Philip Eaton
|
|
gptkbp:discoveredIn
|
1964
|
|
gptkbp:hasInChIKey
|
InChI=1S/C8H8/c1-2-3-4-5-6-7-8(1)5/h1-8H
|
|
gptkbp:hasSMILES
|
C12C3C4C1C5C4C3C25
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
cubane
|
|
gptkbp:IUPACName
|
gptkb:cubane
|
|
gptkbp:meltingPoint
|
131 °C
|
|
gptkbp:molecularWeight
|
104.15 g/mol
|
|
gptkbp:number_of_hydrogen_atoms
|
8
|
|
gptkbp:numberOfCarbonAtoms
|
8
|
|
gptkbp:PubChem_CID
|
9250
CHEBI:33188
|
|
gptkbp:riskFactor
|
explosive potential
|
|
gptkbp:solubility
|
soluble
insoluble
|
|
gptkbp:stable
|
kinetically stable
|
|
gptkbp:strain_energy
|
~166 kcal/mol
|
|
gptkbp:structure
|
cube-shaped hydrocarbon
|
|
gptkbp:bfsParent
|
gptkb:C8
|
|
gptkbp:bfsLayer
|
5
|