(3As,6E,10E,12Ar)-3-Isopropylidene-6,10,12A-Trimethyl-3,3A,4,5,8,9,12,12A-Octahydrocyclopenta[11]Annulen-2(1H)-One

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Properties Simple | Detailed

Formula C20H30O
IUPAC Name (3ar,5e,9e,12as)-1-isopropylidene-3a,6,10-trimethyl-4,7,8,11,12,12a-hexahydro-3h-cyclopenta[11]annulen-2-one
Molecular Mass 286.452 g·mol−1
Heat of Formation -266.0 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 390.3 Å 3
Surface Area 300.9 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3e,7e,11s)-1,4,8-trimethyl-12-propan-2-ylidene-bicyclo[9.3.0]tetradeca-3,7-dien-13-one
  • (1r,3e,7e,11s)-1,4,8-trimethyl-12-propan-2-ylidenebicyclo[9.3.0]tetradeca-3,7-dien-13-one
  • (1r,3e,7e,11s)-12-isopropylidene-1,4,8-trimethyl-13-bicyclo[9.3.0]tetradeca-3,7-dienone
  • (1r,3e,7e,11s)-12-isopropylidene-1,4,8-trimethyl-bicyclo[9.3.0]tetradeca-3,7-dien-13-one
InChIKey YETBHHZORHIONL-SYRRJQNTSA-N
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