(2S)-3-[(1E,3E,5E,7E,9E)-1,3,5,7,9-Dodecapentaen-1-Yloxy]-1,2-Propanediol

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Properties Simple | Detailed

Formula C15H22O3
IUPAC Name (2s)-3-[(1e,3e,5e,7e,9e)-dodeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol
Molecular Mass 250.333 g·mol−1
Heat of Formation -341.3 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 343.21 Å 3
Surface Area 343.96 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-[(1e,3e,5e,7e,9e)-dodeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol
  • (s-(all-e))-3-(1,3,4,7,9-dodecapentaenyloxy)-1,2-propanediol
  • 1,2-propanediol, 3-((1e,3e,5e,7e,9e)-1,3,5,7,9-dodecapentaenyloxy)-, (2s)-
  • 1,2-propanediol, 3-(1,3,5,7,9-dodecapentaenyloxy)-, (all-e)-
  • 3'-(1,3,5,7,9-dodecapentaenyloxy)-1',2'-propanediol
  • fecapentaene 12
CAS Number(s)
  • 83248-46-8
  • 91423-46-0
InChIKey CQBOBCAMYWRTNO-CFEYUBAXSA-N
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