(1R,2S,5R)-2-Isopropyl-5-Methylcyclohexyl Hydrogen (S)-Hexylphosphonate

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Properties Simple | Detailed

Formula C16H33O3P
IUPAC Name hexyl-[(1r,2s,5r)-2-isopropyl-5-methyl-cyclohexoxy]phosphinic acid
Molecular Mass 304.405 g·mol−1
Heat of Formation -1086.9 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 415.06 Å 3
Surface Area 363.25 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 3.45 ± eV
Point Group Symmetry C1
Synonyms
  • hexyl-[(1r,2s,5r)-2-isopropyl-5-methyl-cyclohexoxy]phosphinic acid
  • hexyl-[(1r,2s,5r)-2-isopropyl-5-methylcyclohexoxy]phosphinic acid
  • hexyl-[(1r,2s,5r)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-phosphinic acid
  • hexyl-[(1r,2s,5r)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid
InChIKey WAVIZOVSJOXCKT-OWCLPIDISA-N
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