Oxachamigrene

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Properties Simple | Detailed

Formula C15H24BrClO
IUPAC Name (1r,1'r,2r,2'r,4s)-2'-bromo-1'-chloro-1,1',3,3-tetramethyl-spiro[7-oxabicyclo[2.2.1]heptane-2,4'-cyclohexane]
Molecular Mass 335.707 g·mol−1
Heat of Formation -383.6 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 351.05 Å 3
Surface Area 276.09 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy 3.29 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,1'r,2'r,4s,6r)-2'-bromo-1'-chloro-1,1',5,5-tetramethyl-spiro[7-oxabicyclo[2.2.1]heptane-6,4'-cyclohexane]
  • rel-(1r,2r,3'r,4s,4'r)-3'-bromo-4'-chloro-1,3,3,4'-tetramethyl-7-oxaspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane]
  • spiro[cyclohexane-1,2'-[7]oxabicyclo[2.2.1]heptane], 3-bromo-4-chloro-1',3',3',4-tetramethyl-, (1r,1'r,3r,4r,4's)-
InChIKey LBKDDPGYNQZCID-OBRUSBNWSA-N
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Elements H C O Br Cl