A-Ocimene

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Properties Simple | Detailed

Formula C10H16
IUPAC Name (3e)-3,7-dimethylocta-1,3,7-triene
Molecular Mass 136.234 g·mol−1
Heat of Formation 54.5 ± 16.7 kJ·mol−1
Dipole Moment 0.99 ± 1.08 D
Volume 214.41 Å 3
Surface Area 207.97 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-3,7-dimethylocta-1,3,7-triene
  • 1,3,7-octatriene, 3,7-dimethyl-
  • 3,7-dimethylocta-1,3,7-triene
  • alpha-ocimene
CAS Number(s)
  • 502-99-8
InChIKey XJPBRODHZKDRCB-CSKARUKUSA-N
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