{(1S,4S)-4-[(1S,4S)-4-Bromo-3,3-Dimethylcyclohexyl]-2,3-Dioxabicyclo[2.2.2]Oct-5-En-1-Yl}Methanol

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Properties Simple | Detailed

Formula C15H23BrO3
IUPAC Name [(1s,4s)-4-[(1r,4r)-4-bromo-3,3-dimethyl-cyclohexyl]-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl]methanol
Molecular Mass 331.245 g·mol−1
Heat of Formation -345.6 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 346.58 Å 3
Surface Area 290.69 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 0.32 ± eV
Point Group Symmetry C1
InChIKey KZRDDGGREUNDMV-GBOPCIDUSA-N
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Elements H C O Br