1-(5-Ethyl-2-Hydroxy-4-{[6-Methyl-6-(2H-Tetrazol-5-Yl)Heptyl]Oxy}Phenyl)Ethanone

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Properties Simple | Detailed

Formula C19H28N4O3
IUPAC Name 1-[5-ethyl-2-hydroxy-4-[6-methyl-6-(2h-tetrazol-5-yl)heptoxy]phenyl]ethanone
Molecular Mass 360.451 g·mol−1
Heat of Formation -334.6 ± 16.7 kJ·mol−1
Dipole Moment 7.94 ± 1.08 D
Volume 455.48 Å 3
Surface Area 406.45 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (1-(5-ethyl-2-hydroxy-4-(6-methyl-6-(1h-tetrazol-5-yl)heptyloxy)phenyl)ethanone)
  • 1-[5-ethyl-2-hydroxy-4-[6-methyl-6-(2h-1,2,3,4-tetrazol-5-yl)heptoxy]phenyl]ethanone
  • ethanone, 1-(5-ethyl-2-hydroxy-4-((6-methyl-6-(1h-tetrazol-5-yl)heptyl)oxy)phenyl)-
  • ly 255283
  • ly-255283
CAS Number(s)
  • 117690-79-6
InChIKey WCGXJPFHTHQNJL-UHFFFAOYSA-N
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