5-Ethyl-5-(1,3-Dimethyl-1-Butenyl)Barbituric Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C12H18N2O3
IUPAC Name 5-[(e)-1,3-dimethylbut-1-enyl]-5-ethyl-hexahydropyrimidine-2,4,6-trione
Molecular Mass 238.283 g·mol−1
Heat of Formation -630.5 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 298.14 Å 3
Surface Area 257.08 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(1,3-dimethyl-1-butenyl)-5-ethylbarbituric acid
  • 5-(1,3-dimethylbut-1-enyl)-5-ethyl-barbituric acid
  • 5-(1,3-dimethylbut-1-enyl)-5-ethyl-hexahydropyrimidine-2,4,6-trione
  • 5-(1,3-dimethylbut-1-enyl)-5-ethylhexahydropyrimidine-2,4,6-trione
  • 5-[(e)-1,3-dimethylbut-1-enyl]-5-ethyl-barbituric acid
  • 5-[(e)-1,3-dimethylbut-1-enyl]-5-ethyl-hexahydropyrimidine-2,4,6-trione
  • 5-[(e)-1,3-dimethylbut-1-enyl]-5-ethylhexahydropyrimidine-2,4,6-trione
  • 5-ethyl-5-(4-methylpent-2-en-2-yl)-1,3-diazinane-2,4,6-trione
  • 5-ethyl-5-[(e)-4-methylpent-2-en-2-yl]-1,3-diazinane-2,4,6-trione
  • barbituric acid, 5-(1,3-dimethyl-1-butenyl)-5-ethyl-
CAS Number(s)
  • 72961-79-6
InChIKey KWLOYSONHUJJQF-SOFGYWHQSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N