(1R,4S,5E,8R,9R)-4-Hydroxy-8-Isopropenyl-5-Methyl-10-Oxabicyclo[7.2.1]Dodec-5-En-11-One

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Properties Simple | Detailed

Formula C15H22O3
IUPAC Name (1r,4s,5e,8r,9r)-4-hydroxy-8-isopropenyl-5-methyl-10-oxabicyclo[7.2.1]dodec-5-en-11-one
Molecular Mass 250.333 g·mol−1
Heat of Formation -551.3 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 315.74 Å 3
Surface Area 261.43 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 0.94 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,4e,6s,9r)-6-hydroxy-2-isopropenyl-5-methyl-11-oxabicyclo[7.2.1]dodec-4-en-10-one
InChIKey COEDSYSRVAUHQU-GEHWQCAJSA-N
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