5-Allyl-5-(2-Methyl-2-Butanyl)-2,4,6(1H,3H,5H)-Pyrimidinetrione

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Properties Simple | Detailed

Formula C12H18N2O3
IUPAC Name 5-allyl-5-(1,1-dimethylpropyl)hexahydropyrimidine-2,4,6-trione
Molecular Mass 238.283 g·mol−1
Heat of Formation -594.6 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 292.08 Å 3
Surface Area 245.86 Å 2
HOMO Energy -10.54 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 5-(2,2-dimethylpropyl)-5-(2-propenyl)-
  • 5-(2-methylbutan-2-yl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
  • 5-allyl-5-(2,2-dimethylpropyl)barbituric acid
  • 5-allyl-5-neopentylbarbituric acid
  • 5-allyl-5-neopentylbarbitursaeure
  • 5-allyl-5-tert-amyl-barbituric acid
  • 5-neopentyl-5-allylbarbituric acid
  • allylneopentylbarbituric acid
  • censedal
  • nealbarbitone
  • neallylmalum
  • neallymal
  • nepental
  • nevental
CAS Number(s)
  • 38211-35-7
  • 561-83-1
InChIKey YSHCQOMYYHNUJW-UHFFFAOYSA-N
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