(9E)-11-Oxo-11-[(2S,3R)-3-Pentyl-2-Oxiranyl]-9-Undecenoic Acid

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Properties Simple | Detailed

Formula C18H30O4
IUPAC Name (e)-11-oxo-11-[(2s,3r)-3-pentyloxiran-2-yl]undec-9-enoic acid
Molecular Mass 310.428 g·mol−1
Heat of Formation -793.1 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 423.31 Å 3
Surface Area 330.72 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-11-[(2s,3r)-3-amyloxiran-2-yl]-11-keto-undec-9-enoic acid
  • (e)-11-oxo-11-[(2s,3r)-3-pentyl-2-oxiranyl]undec-9-enoic acid
  • (e)-11-oxo-11-[(2s,3r)-3-pentyloxiran-2-yl]undec-9-enoic acid
  • 12,13-epoxy-11-oxo-9-octadecenoic acid
  • 9-undecenoic acid, 11-oxo-11-(3-pentyloxiranyl)-, (2alpha(e),3beta)-
  • epooda
  • trans-12,13-epoxy-11-oxo-trans-9-octadecenoic acid
CAS Number(s)
  • 79741-28-9
InChIKey RDGAFGWICQNYLG-CJXWSEAPSA-N
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