Sitophilate

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Properties Simple | Detailed

Formula C11H22O3
IUPAC Name 1-ethylpropyl (2s,3r)-3-hydroxy-2-methyl-pentanoate
Molecular Mass 202.291 g·mol−1
Heat of Formation -787.0 ± 16.7 kJ·mol−1
Dipole Moment 0.64 ± 1.08 D
Volume 277.92 Å 3
Surface Area 241.93 Å 2
HOMO Energy -10.48 ± 0.55 eV
LUMO Energy 4.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-3-hydroxy-2-methyl-valeric acid 1-ethylpropyl ester
  • (2s,3r)-3-hydroxy-2-methylpentanoic acid 1-ethylpropyl ester
  • (r-(r*,s*))-1-ethylpropyl 3-hydroxy-2-methylpentanoate
  • 1-ethylpropyl (2s,3r)-3-hydroxy-2-methyl-pentanoate
  • pentan-3-yl (2s,3r)-3-hydroxy-2-methyl-pentanoate
  • pentanoic acid, 3-hydroxy-2-methyl-, 1-ethylpropyl ester, (r-(r*,s*))-
CAS Number(s)
  • 114607-20-4
InChIKey JZOCRUBSQNZLIW-WCBMZHEXSA-N
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