(3S)-3-[(2S,3S,4R)-3,4-Dimethyltetrahydro-2-Furanyl]Butyl Laurate

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Properties Simple | Detailed

Formula C22H42O3
IUPAC Name [(3s)-3-[(2s,3s,4r)-3,4-dimethyltetrahydrofuran-2-yl]butyl] dodecanoate
Molecular Mass 354.567 g·mol−1
Heat of Formation -913.2 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 503.89 Å 3
Surface Area 465.09 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 1.01 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s)-3-[(2s,3s,4r)-3,4-dimethyloxolan-2-yl]butyl] dodecanoate
  • [(3s)-3-[(2s,3s,4r)-3,4-dimethyltetrahydrofuran-2-yl]butyl] dodecanoate
  • dodecanoic acid [(3s)-3-[(2s,3s,4r)-3,4-dimethyl-2-tetrahydrofuranyl]butyl] ester
  • lauric acid [(3s)-3-[(2s,3s,4r)-3,4-dimethyltetrahydrofuran-2-yl]butyl] ester
  • twn
InChIKey TWHGDIVTXKNMOZ-XWUOBKMESA-N
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