β-Cubebene

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Properties Simple | Detailed

Formula C15H24
IUPAC Name (1r,5s,6r,7s,10r)-7-isopropyl-10-methyl-4-methylene-tricyclo[4.4.0.01,5]decane
Molecular Mass 204.351 g·mol−1
Heat of Formation -33.9 ± 16.7 kJ·mol−1
Dipole Moment 1.14 ± 1.08 D
Volume 294.29 Å 3
Surface Area 254.73 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-cyclopenta(1,3)cyclopropa(1,2)benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, (3as-(3aalpha,3bbata,4beta,7alpha,7as*))-
  • 1h-cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, (4s,7r)-
  • 4-isopropyl-7-methyl-3-methylene-octahydro-cyclopenta[1,3]cyclopropa[1,2]benzene
  • 6-epi-beta-cubebene
  • rel-(4r,7s)-4-isopropyl-7-methyl-3-methyleneoctahydro-1h-cyclopenta[1,3]cyclopropa[1,2]benzene
CAS Number(s)
  • 13744-15-5
InChIKey FSRZGYRCMPZNJF-KHMAMNHCSA-N
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