4-{[(1R,2S,5R)-2-Isopropyl-5-Methylcyclohexyl]Oxy}-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C14H24O4
IUPAC Name 4-[(1r,2s,5r)-2-isopropyl-5-methyl-cyclohexoxy]-4-oxo-butanoic acid
Molecular Mass 256.338 g·mol−1
Heat of Formation -975.8 ± 16.7 kJ·mol−1
Dipole Moment 1.83 ± 1.08 D
Volume 336.96 Å 3
Surface Area 302.48 Å 2
HOMO Energy -10.61 ± 0.55 eV
LUMO Energy 0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(1r,2s,5r)-2-isopropyl-5-methyl-cyclohexoxy]-4-keto-butyric acid
  • 4-[(1r,2s,5r)-2-isopropyl-5-methyl-cyclohexoxy]-4-oxo-butanoic acid
  • 4-[(1r,2s,5r)-2-isopropyl-5-methylcyclohexoxy]-4-oxobutanoic acid
  • 4-[(1r,2s,5r)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-4-oxo-butanoic acid
  • 4-[(1r,2s,5r)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxobutanoic acid
InChIKey BLILOGGUTRWFNI-GRYCIOLGSA-N
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