3-Pentanyl (2S,3S)-3-Hydroxy-2-Methylpentanoate

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Properties Simple | Detailed

Formula C11H22O3
IUPAC Name 1-ethylpropyl (2s,3s)-3-hydroxy-2-methyl-pentanoate
Molecular Mass 202.291 g·mol−1
Heat of Formation -786.3 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 282.08 Å 3
Surface Area 252.63 Å 2
HOMO Energy -10.32 ± 0.55 eV
LUMO Energy 0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-3-hydroxy-2-methyl-valeric acid 1-ethylpropyl ester
  • (2s,3s)-3-hydroxy-2-methylpentanoic acid 1-ethylpropyl ester
  • 1-ethylpropyl (2s,3s)-3-hydroxy-2-methyl-pentanoate
  • pentan-3-yl (2s,3s)-3-hydroxy-2-methyl-pentanoate
  • pentan-3-yl (2s,3s)-3-hydroxy-2-methylpentanoate
InChIKey JZOCRUBSQNZLIW-WPRPVWTQSA-N
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Elements H C O