(2E,4E)-3-Methyl-5-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-2,4-Pentadien-1-Yl Bromoacetate

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Formula C17H25BrO2
IUPAC Name [(2e,4e)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl] 2-bromoacetate
Molecular Mass 341.283 g·mol−1
Heat of Formation -386.4 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 396.55 Å 3
Surface Area 336.01 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 2-bromoacetic acid [(2e,4e)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)penta-2,4-dienyl] ester
  • [(2e,4e)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)penta-2,4-dienyl] 2-bromoacetate
  • [(2e,4e)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)penta-2,4-dienyl] 2-bromoethanoate
  • beta-ionylideneethanol bromoacetate
CAS Number(s)
  • 81112-41-6
InChIKey ALKXAVUXOREVOR-NJHPPEEMSA-N
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Elements H C O Br