(1S)-1-[(2R)-6-Oxotetrahydro-2H-Pyran-2-Yl]Undecyl Acetate

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Properties Simple | Detailed

Formula C18H32O4
IUPAC Name [(1s)-1-[(2r)-6-oxotetrahydropyran-2-yl]undecyl] acetate
Molecular Mass 312.444 g·mol−1
Heat of Formation -1000.7 ± 16.7 kJ·mol−1
Dipole Moment 5.69 ± 1.08 D
Volume 425.12 Å 3
Surface Area 394.66 Å 2
HOMO Energy -10.46 ± 0.55 eV
LUMO Energy 0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-(5r,6s)-6-acetoxy-5-hexadecanolide
  • (5r,6s)-(-)-6-acetoxy-5-hexadecanolide
  • (5r,6s)-erythro-6-acetoxy-5-hexadecanolide
  • (6s)-acetoxy-(5r)-hexadecanolide
  • (r-(r*,s*))-6-(1-(acetyloxy)undecyl)tetrahydro-2h-pyran-2-one
  • 2h-pyran-2-one, 6-((1s)-1-(acetyloxy)undecyl)tetrahydro-, (6r)-
  • 2h-pyran-2-one, 6-(1-(acetyloxy)undecyl)tetrahydro-, (r-(r*,s*))-
  • 6-acetoxy-5-hexadecanolide
  • [(1s)-1-[(2r)-6-oxooxan-2-yl]undecyl] acetate
  • [(1s)-1-[(2r)-6-oxooxan-2-yl]undecyl] ethanoate
  • [(1s)-1-[(2r)-6-oxotetrahydropyran-2-yl]undecyl] acetate
  • acetic acid [(1s)-1-[(2r)-6-ketotetrahydropyran-2-yl]undecyl] ester
  • acetic acid [(1s)-1-[(2r)-6-oxo-2-tetrahydropyranyl]undecyl] ester
CAS Number(s)
  • 85551-39-9
InChIKey SPOXUSGCKOQPRB-DLBZAZTESA-N
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