(5R)-5-(1-Cyclohexen-1-Yl)-1,5-Dimethyl-2,4,6(1H,3H,5H)-Pyrimidinetrione

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Properties Simple | Detailed

Formula C12H16N2O3
IUPAC Name (5r)-5-(cyclohexen-1-yl)-1,5-dimethyl-hexahydropyrimidine-2,4,6-trione
Molecular Mass 236.267 g·mol−1
Heat of Formation -563.8 ± 16.7 kJ·mol−1
Dipole Moment 1.74 ± 1.08 D
Volume 279.74 Å 3
Surface Area 245.65 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
Synonyms
  • (5r)-5-(1-cyclohexenyl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione
  • (5r)-5-(1-cyclohexenyl)-1,5-dimethyl-barbituric acid
  • (5r)-5-(1-cyclohexenyl)-1,5-dimethyl-hexahydropyrimidine-2,4,6-trione
  • (5r)-5-(1-cyclohexenyl)-1,5-dimethylhexahydropyrimidine-2,4,6-trione
InChIKey UYXAWHWODHRRMR-GFCCVEGCSA-N
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