Allocimene A

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Properties Simple | Detailed

Formula C10H16
IUPAC Name (4e,6e)-2,6-dimethylocta-2,4,6-triene
Molecular Mass 136.234 g·mol−1
Heat of Formation 18.6 ± 16.7 kJ·mol−1
Dipole Moment 1.18 ± 1.08 D
Volume 208.83 Å 3
Surface Area 213.0 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry Cs
Synonyms
  • (4e,6e)-2,6-dimethylocta-2,4,6-triene
  • (4e,6e)-allocimene
  • (4e,6e)-alloocimene
  • (e,e)-2,6-dimethyl-2,4,6-octatriene
  • (e,e)-2,6-dimethylocta-2,4,6-triene
  • 2,4,6-octatriene, 2,6-dimethyl-
  • 2,4,6-octatriene, 2,6-dimethyl- (van) (8ci)(9ci)
  • 2,4,6-octatriene, 2,6-dimethyl-, (4e,6e)-
  • 2,4,6-octatriene, 2,6-dimethyl-, (e,e)-
  • 2,6-dimethyl-2,4,6-octatriene
  • 2,6-dimethyl-octa-2,4,6-triene, trans
  • 2,6-dimethylocta-2,4,6-triene
  • 4-trans-6-trans-alloocimene
  • allo-ocimene
  • allocymene
  • alloocimene
  • bb_nc-1504
  • ocimene, a110
  • ocimene, allo
  • octane, 2,6-dimethyl-, hexadehydro deriv.
  • trans,trans-alloocimene
  • z-neo-allo-ocimene
CAS Number(s)
  • 673-84-7
  • 3016-19-1
  • 17627-38-2
  • 17627-39-3
  • 23487-64-1
InChIKey GQVMHMFBVWSSPF-SOYUKNQTSA-N
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Elements H C