(5Z)-7-{(1R,2S,3S,4S)-3-[(Hexyloxy)Methyl]-7-Oxabicyclo[2.2.1]Hept-2-Yl}-5-Heptenoic Acid

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Formula C20H34O4
IUPAC Name (z)-7-[(1r,2s,3s,4s)-3-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Molecular Mass 338.482 g·mol−1
Heat of Formation -896.0 ± 16.7 kJ·mol−1
Dipole Moment 1.84 ± 1.08 D
Volume 445.28 Å 3
Surface Area 374.13 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 1.03 ± eV
Point Group Symmetry C1
Synonyms
  • (1-alpha-2-beta-3-beta-4-alpha)-7-((hexyloxy)methyl)-7-oxabicyclo(2.2.1)hept-2-yl-5-heptenoic acid
  • (z)-7-[(1r,4s,5s,6s)-5-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
  • 5-heptenoic acid, 7-(3-((hexyloxy)methyl)-7-oxabicyclo(2.2.1)hept-2-yl)-, (1r-(1alpha,2alpha(z),3alpha,4alpha))-
  • sq 28,852
  • sq 28852
CAS Number(s)
  • 103001-17-8
InChIKey LFIVXSJETLCCML-RKJFEJLWSA-N
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