(1S,2R,5S,8R)-4,4,8-Trimethyltricyclo[6.3.1.0~2,5~]Dodecan-11-One

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Properties Simple | Detailed

Formula C15H24O
IUPAC Name (1s,2r,5s,8r)-4,4,8-trimethyltricyclo[6.3.1.0 2,5 ]dodecan-11-one
Molecular Mass 220.350 g·mol−1
Heat of Formation -275.0 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 299.9 Å 3
Surface Area 245.51 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 1.12 ± eV
Point Group Symmetry C1
Synonyms
  • beta-caryophyllone
  • caryophyllone
  • tricyclo(6.3.1.02,5)dodecan-11-one, 4,4,8-trimethyl-, (1s-(1alpha,2beta,5alpha,8alpha))-
CAS Number(s)
  • 109119-65-5
InChIKey JLZBTPJKBKNFEG-JUFZMCDQSA-N
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