(1S,3As,3Br,6As,6Br)-1-Isopropyl-3A-Methyl-6-Methylenedecahydrocyclopenta[3,4]Cyclobuta[1,2]Cyclopentene

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Properties Simple | Detailed

Formula C15H24
IUPAC Name (1s,3as,3br,6as,6br)-1-isopropyl-3a-methyl-6-methylenedecahydrocyclopenta[3,4]cyclobuta[1,2]cyclopentene
Molecular Mass 204.351 g·mol−1
Heat of Formation -77.7 ± 16.7 kJ·mol−1
Dipole Moment 0.88 ± 1.08 D
Volume 297.58 Å 3
Surface Area 251.3 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy 1.28 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-beta-bourbonene
  • 1,2,3,3a,3bbeta,4,5,6,6abeta,6balpha-decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylenecyclobuta(1,2:3,4)dicyclopentene
  • beta-bourbonene
  • bourbonene, beta-
  • cyclobuta(1,2:3,4)dicyclopentene, 1,2,3,3a,3bbeta,4,5,6,6abeta,6balpha-decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylene
  • cyclobuta(1,2:3,4)dicyclopentene, decahydro-3a-methyl-6-methylene-1-(1-methylethyl)-, (1s-(1alpha,3aalpha,3bbeta,6abeta,6balpha))-
  • decahydro-3a-methyl-6-methylene-1-(1-methylethyl)cyclobuta(1,2:3,4)dicyclopentene, (1s-(1alpha,3aalpha,3bbeta,6abeta,6balpha))-
  • decahydroisopropylmethylmethylenecyclobuta(1,2:3,4)dicyclopentene
CAS Number(s)
  • 13833-27-7
InChIKey YIRAHEODBQONHI-ZQNQSHIBSA-N
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