(5E)-7-{7,7-Difluoro-3-[(1E)-3-Hydroxy-1-Octen-1-Yl]-2,6-Dioxabicyclo[3.1.1]Hept-4-Yl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C20H30F2O5
IUPAC Name (e)-7-[(1r,2r,3r,5r)-7,7-difluoro-3-[(e,3s)-3-hydroxyoct-1-enyl]-4,6-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
Molecular Mass 388.446 g·mol−1
Heat of Formation -1322.9 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 481.09 Å 3
Surface Area 383.32 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy 0.40 ± eV
Point Group Symmetry C1
InChIKey GJCWJHMKKPOZIY-DKDKNXRBSA-N
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Elements H C O F