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

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Properties Simple | Detailed

Formula C16H33O3P
IUPAC Name hexyl-[(1s,2r,5s)-2-isopropyl-5-methyl-cyclohexoxy]phosphinic acid
Molecular Mass 304.405 g·mol−1
Heat of Formation -1097.7 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 416.83 Å 3
Surface Area 361.15 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 0.34 ± eV
Point Group Symmetry C1
Synonyms
  • hexyl-[(1s,2r,5s)-2-isopropyl-5-methyl-cyclohexoxy]phosphinic acid
  • hexyl-[(1s,2r,5s)-2-isopropyl-5-methylcyclohexoxy]phosphinic acid
  • hexyl-[(1s,2r,5s)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-phosphinic acid
  • hexyl-[(1s,2r,5s)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid
InChIKey WAVIZOVSJOXCKT-XHSDSOJGSA-N
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