(3Z,5R,6S,12R)-5,6-Dihydroxy-12-Methyloxacyclododec-3-En-2-One

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Properties Simple | Detailed

Formula C12H20O4
IUPAC Name (3z,5r,6s,12r)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
Molecular Mass 228.285 g·mol−1
Heat of Formation -807.5 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 285.02 Å 3
Surface Area 243.92 Å 2
HOMO Energy -10.52 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (3z,5r,6s,12r)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
  • oxacyclododec-3-en-2-one, 5,6-dihydroxy-12-methyl-, (3e,5r,6s,12r)-
CAS Number(s)
  • 77663-54-8
InChIKey PLHJPQNLCWFPFY-QBZRCGKNSA-N
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