Δ-Guaiene

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Properties Simple | Detailed

Formula C15H24
IUPAC Name (3s,3as,5r)-5-isopropenyl-3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulene
Molecular Mass 204.351 g·mol−1
Heat of Formation -94.0 ± 16.7 kJ·mol−1
Dipole Moment 0.90 ± 1.08 D
Volume 295.99 Å 3
Surface Area 258.38 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,3as,5r)-5-isopropenyl-3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulene
  • azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1s-(1alpha,4alpha,7alpha))-
CAS Number(s)
  • 3691-11-0
InChIKey YHAJBLWYOIUHHM-GUTXKFCHSA-N
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Elements H C