(1R,5R,6R)-5-Hydroxy-3-(2-Methyl-2-Propanyl)-7-Oxabicyclo[4.1.0]Hept-3-En-2-One

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Properties Simple | Detailed

Formula C10H14O3
IUPAC Name (1r,2r,6r)-4-tert-butyl-2-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-5-one
Molecular Mass 182.216 g·mol−1
Heat of Formation -389.9 ± 16.7 kJ·mol−1
Dipole Moment 1.10 ± 1.08 D
Volume 225.59 Å 3
Surface Area 205.14 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,6r)-4-tert-butyl-2-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-5-one
  • 6-tert-butyl-2,3-epoxy-1,4-benzoquinone
  • tbe-bq
CAS Number(s)
  • 158592-93-9
InChIKey PSYOCQSPCVZCHY-VDAHYXPESA-N
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