(1Ar,4R,4Ar,7Ar,7Br)-1,1,4-Trimethyl-7-Methylenedecahydro-1H-Cyclopropa[E]Azulene

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Properties Simple | Detailed

Formula C15H24
IUPAC Name (1ar,4r,4ar,7ar,7br)-1,1,4-trimethyl-7-methylene-2,3,4,4a,5,6,7a,7b-octahydro-1ah-cyclopropa[e]azulene
Molecular Mass 204.351 g·mol−1
Heat of Formation -13.6 ± 16.7 kJ·mol−1
Dipole Moment 0.63 ± 1.08 D
Volume 294.08 Å 3
Surface Area 247.03 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 1.38 ± eV
Point Group Symmetry C1
Synonyms
  • (1ar-(1aalpha,4alpha,4abeta,7abeta,7balpha))-decahydro-1,1,4-trimethyl-7-methylene-1h-cycloprop(e)azulene
  • 1h-cycloprop(e)azulene, decahydro-1,1,4-trimethyl-7-methylene-, (1ar-(1aalpha,4alpha,4abeta,7abeta,7balpha))-
  • beta-gurjunene
CAS Number(s)
  • 73464-47-8
InChIKey IRCZVRWQUNZGSH-DKTYCGPESA-N
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