6-(4-{[5-(1H-Imidazol-1-Yl)Pentyl]Oxy}Phenoxy)-2,2-Dimethylhexanoic Acid

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Properties Simple | Detailed

Formula C22H32N2O4
IUPAC Name 6-[4-[5-(4h-imidazol-3-ium-4-ylium-3-yl)pentoxy]phenoxy]-2,2-dimethyl-hexanoic acid
Molecular Mass 388.500 g·mol−1
Heat of Formation -650.5 ± 16.7 kJ·mol−1
Dipole Moment 6.10 ± 1.08 D
Volume 502.98 Å 3
Surface Area 461.68 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 0.00 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(4-((5-(-1h-imidazol-1-yl)pentyl)oxy)phenoxy)-2,2-dimethylhexanoic acid
  • 6-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethyl-hexanoic acid
  • 6-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethylhexanoic acid
  • 6-[4-[5-(1-imidazolyl)pentoxy]phenoxy]-2,2-dimethylhexanoic acid
  • hexanoic acid, 6-(4-((5-(1h-imidazol-1-yl)pentyl)oxy)phenoxy)-2,2-dimethyl-
  • ym 212
  • ym-212
CAS Number(s)
  • 107831-14-1
InChIKey RWACOJASAIEHOK-UHFFFAOYSA-N
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