(+)-Nootkatone

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Properties Simple | Detailed

Formula C15H22O
IUPAC Name (4r,4as,6r)-6-isopropenyl-4,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Molecular Mass 218.335 g·mol−1
Heat of Formation -220.4 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 297.65 Å 3
Surface Area 257.66 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • ()-nootkatone
  • (4r,4as,6r)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
  • (4r,4as,6r)-6-isopropenyl-4,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
  • bb_nc-1524
InChIKey WTOYNNBCKUYIKC-JMSVASOKSA-N
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