(5Z)-7-{(1R,2S,3R,5R)-3-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]Bicyclo[3.1.1]Hept-2-Yl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C22H36O3
IUPAC Name (z)-7-[(2s,3r)-3-[(e,3s)-3-hydroxyoct-1-enyl]norpinan-2-yl]hept-5-enoic acid
Molecular Mass 348.519 g·mol−1
Heat of Formation -666.2 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 484.51 Å 3
Surface Area 367.14 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(2s,3r)-3-[(e,3s)-3-hydroxyoct-1-enyl]-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
  • (z)-7-[(2s,3r)-3-[(e,3s)-3-hydroxyoct-1-enyl]-2-norpinanyl]hept-5-enoic acid
  • (z)-7-[(2s,3r)-3-[(e,3s)-3-hydroxyoct-1-enyl]norpinan-2-yl]hept-5-enoic acid
  • cta-2
InChIKey ZIWNJZLXPXFNGN-JJPTUHNDSA-N
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