(9E,11Z)-11-[(3S)-3-Pentyl-2-Oxiranylidene]-9-Undecenoic Acid

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Properties Simple | Detailed

Formula C18H30O3
IUPAC Name (e,11z)-11-[(3s)-3-pentyloxiran-2-ylidene]undec-9-enoic acid
Molecular Mass 294.429 g·mol−1
Heat of Formation -551.6 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 415.47 Å 3
Surface Area 398.99 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (13s)-12,13-epoxyoctadeca-9,11-dienoic acid
  • (e,11z)-11-[(3s)-3-amyloxiran-2-ylidene]undec-9-enoic acid
  • (e,11z)-11-[(3s)-3-pentyl-2-oxiranylidene]undec-9-enoic acid
  • (e,11z)-11-[(3s)-3-pentyloxiran-2-ylidene]undec-9-enoic acid
  • 11-[(3s)-3-pentyloxiran-2-ylidene]undec-9-enoic acid
  • 12,13-eoda
  • 12,13-epoxy-9(2),11-octadecadienoic acid
  • 9-undecenoic acid, 11-(pentyloxiranylidene)-, (s-(e,z))-
CAS Number(s)
  • 114488-95-8
InChIKey ZFVKKBAQVWQQHP-MEQKAPTFSA-N
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