(3S)-3,7-Dimethyl-1,6-Octadien-3-Yl Propionate

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Properties Simple | Detailed

Formula C13H22O2
IUPAC Name [(1s)-1,5-dimethyl-1-vinyl-hex-4-enyl] propanoate
Molecular Mass 210.313 g·mol−1
Heat of Formation -445.0 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 300.85 Å 3
Surface Area 269.71 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 4.00 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s)-1,5-dimethyl-1-vinyl-hex-4-enyl] propanoate
  • [(3s)-3,7-dimethylocta-1,6-dien-3-yl] propanoate
  • propanoic acid [(1s)-1,5-dimethyl-1-vinylhex-4-enyl] ester
  • propionic acid [(1s)-1,5-dimethyl-1-vinyl-hex-4-enyl] ester
InChIKey WAQIIHCCEMGYKP-CYBMUJFWSA-N
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