A-Humulene

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Properties Simple | Detailed

Formula C15H24
IUPAC Name (1e,4e,8e)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
Molecular Mass 204.351 g·mol−1
Heat of Formation -36.6 ± 16.7 kJ·mol−1
Dipole Moment 0.85 ± 1.08 D
Volume 300.32 Å 3
Surface Area 247.44 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 1.36 ± eV
Point Group Symmetry C1
Synonyms
  • (1e,4e,8e)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene
  • (1e,4e,8e)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
  • (1e,4e,8e)-alpha-humulene
  • (1e,4e,8e)-humula-1(11),4,8-triene
  • (e,e,e)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene
  • .alpha.-caryophyllene
  • 1,4,8-cycloundecatriene, 2,6,6,9-tetramethyl-, (1e,4e,8e)-
  • 1,4,8-cycloundecatriene, 2,6,6,9-tetramethyl-, (e,e,e)-
  • 2,6,6,9-tetramethyl-1,4,8-cycloundecatriene (e,e,e)-
  • 3,7,10-humulatriene
  • alpha-caryophyllene
  • alpha-humulene
  • humulene
  • lmpr01030034
  • trans,trans,trans-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene
CAS Number(s)
  • 19132-75-3
  • 65907-25-7
  • 6753-98-6
InChIKey FAMPSKZZVDUYOS-HRGUGZIWSA-N
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