4-Cyano-2,2,6,6-Tetramethyl-3,5-Heptanedione

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Properties Simple | Detailed

Formula C12H19NO2
IUPAC Name 2-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-oxo-pentanenitrile
Molecular Mass 209.285 g·mol−1
Heat of Formation -366.2 ± 16.7 kJ·mol−1
Dipole Moment 6.58 ± 1.08 D
Volume 287.54 Å 3
Surface Area 244.08 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy 3.17 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2,2-dimethyl-1-oxopropyl)-4,4-dimethyl-3-oxopentanenitrile
  • 2-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-oxopentanenitrile
  • 3-keto-4,4-dimethyl-2-pivaloyl-valeronitrile
InChIKey ZYZNSVWOHMGKJP-UHFFFAOYSA-N
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