(2S,3S)-3-Hydroxy-3-(Methoxycarbonyl)-4-Methyl-2-Pentanyl Benzoate

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Properties Simple | Detailed

Formula C15H20O5
IUPAC Name [(1s,2s)-2-hydroxy-2-methoxycarbonyl-1,3-dimethyl-butyl] benzoate
Molecular Mass 280.316 g·mol−1
Heat of Formation -899.8 ± 16.7 kJ·mol−1
Dipole Moment 1.25 ± 1.08 D
Volume 343.27 Å 3
Surface Area 296.95 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s,2s)-2-hydroxy-2-methoxycarbonyl-1,3-dimethyl-butyl] benzoate
  • [(2s,3s)-3-hydroxy-3-methoxycarbonyl-4-methyl-pentan-2-yl] benzoate
  • [(2s,3s)-3-hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl] benzoate
  • benzoic acid [(1s,2s)-2-carbomethoxy-2-hydroxy-1,3-dimethyl-butyl] ester
  • benzoic acid [(1s,2s)-2-hydroxy-2-methoxycarbonyl-1,3-dimethylbutyl] ester
  • methyl 3-benzoyloxy-2-hydroxy-2-isopropylbutyrate
CAS Number(s)
  • 126518-75-0
InChIKey GKQJMUAJFMIWIU-NHYWBVRUSA-N
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