(3Z,5S,12R)-5-Hydroxy-12-Methyloxacyclododec-3-En-2-One

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Properties Simple | Detailed

Formula C12H20O3
IUPAC Name (3z,5s,12r)-5-hydroxy-12-methyl-1-oxacyclododec-3-en-2-one
Molecular Mass 212.285 g·mol−1
Heat of Formation -630.5 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 273.34 Å 3
Surface Area 235.5 Å 2
HOMO Energy -10.50 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (3z,5s,12r)-5-hydroxy-12-methyl-1-oxacyclododec-3-en-2-one
  • oxacyclododec-3-en-2-one, 5-hydroxy-12-methyl-, (5s-(3e,5r*,12s*))-
  • patulolide c
CAS Number(s)
  • 103654-47-3
InChIKey KANOICQRSIXTJU-XJMUJKMXSA-N
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