(6S)-Dehydrovomifoliol

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Properties Simple | Detailed

Formula C13H18O3
IUPAC Name (4s)-4-hydroxy-3,5,5-trimethyl-4-[(e)-3-oxobut-1-enyl]cyclohex-2-en-1-one
Molecular Mass 222.280 g·mol−1
Heat of Formation -521.1 ± 16.7 kJ·mol−1
Dipole Moment 5.33 ± 1.08 D
Volume 287.97 Å 3
Surface Area 252.12 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-hydroxy-3,5,5-trimethyl-4-[(e)-3-oxobut-1-enyl]-1-cyclohex-2-enone
  • (4s)-4-hydroxy-3,5,5-trimethyl-4-[(e)-3-oxobut-1-enyl]cyclohex-2-en-1-one
  • (4s)-4-hydroxy-4-[(e)-3-ketobut-1-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one
  • dehydrovomifoliol
CAS Number(s)
  • 15764-81-5
InChIKey JJRYPZMXNLLZFH-URWSZGRFSA-N
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