(3E,12R)-12-Methyloxacyclododec-3-Ene-2,5-Dione

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Properties Simple | Detailed

Formula C12H18O3
IUPAC Name (3e,12r)-12-methyl-1-oxacyclododec-3-ene-2,5-dione
Molecular Mass 210.270 g·mol−1
Heat of Formation -557.0 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 270.77 Å 3
Surface Area 234.67 Å 2
HOMO Energy -10.33 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • (3e,12r)-12-methyl-1-oxacyclododec-3-ene-2,5-dione
  • (3e,12r)-12-methyl-1-oxacyclododec-3-ene-2,5-quinone
  • oxacyclododec-3-ene-2,5-dione, 12-methyl-, (r-(e))-
  • patulolide a
CAS Number(s)
  • 97143-16-3
InChIKey XETYGXGLGYXEIT-AAXQSMANSA-N
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