2-{(2S,3S)-3-[(5E)-6-Methyl-5-Dodecen-1-Yl]-2-Oxiranyl}Acrylic Acid

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Properties Simple | Detailed

Formula C18H30O3
IUPAC Name 2-[(2s,3s)-3-[(e)-6-methyldodec-5-enyl]oxiran-2-yl]prop-2-enoic acid
Molecular Mass 294.429 g·mol−1
Heat of Formation -580.2 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 414.64 Å 3
Surface Area 325.32 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2s,3s)-3-[(e)-6-methyldodec-5-enyl]-2-oxiranyl]prop-2-enoic acid
  • 2-[(2s,3s)-3-[(e)-6-methyldodec-5-enyl]oxiran-2-yl]acrylic acid
  • 2-[(2s,3s)-3-[(e)-6-methyldodec-5-enyl]oxiran-2-yl]prop-2-enoic acid
  • 2-methylidene-10-methyl-trans-3,4-epoxy-9-hexadecenoic acid
  • conocandin
  • oxiraneacetic acid, 3-(6-methyl-5-dodecenyl)-alpha-methylene-, (2-alpha,3-beta(e))-(-)-
CAS Number(s)
  • 61371-61-7
InChIKey WSCIWZRMZZZKRD-KIXISSKZSA-N
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