7-({(2E)-5-[(1R,3R)-3-Hydroxy-2,2-Dimethyl-6-Methylenecyclohexyl]-3-Methyl-2-Penten-1-Yl}Oxy)-2H-Chromen-2-One

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Properties Simple | Detailed

Formula C24H30O4
IUPAC Name 7-[(e)-5-[(1r,3r)-3-hydroxy-2,2-dimethyl-6-methylene-cyclohexyl]-3-methyl-pent-2-enoxy]chromen-2-one
Molecular Mass 382.493 g·mol−1
Heat of Formation -586.9 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 485.04 Å 3
Surface Area 419.78 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[(e)-5-[(1r,3r)-3-hydroxy-2,2-dimethyl-6-methylene-cyclohexyl]-3-methyl-pent-2-enoxy]chromen-2-one
  • 7-[(e)-5-[(1r,3r)-3-hydroxy-2,2-dimethyl-6-methylene-cyclohexyl]-3-methyl-pent-2-enoxy]coumarin
  • 7-[(e)-5-[(1r,3r)-3-hydroxy-2,2-dimethyl-6-methylenecyclohexyl]-3-methylpent-2-enoxy]-2-chromenone
  • 7-[(e)-5-[(1r,3r)-3-hydroxy-2,2-dimethyl-6-methylidene-cyclohexyl]-3-methyl-pent-2-enoxy]chromen-2-one
  • 7-[(e)-5-[(1r,3r)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-enoxy]chromen-2-one
  • assafoetidin
InChIKey XXKXCRGLMFAXTK-BEIJQFPSSA-N
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