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

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Properties Simple | Detailed

Formula C12H20O4
IUPAC Name (3z,5s,6s,12r)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
Molecular Mass 228.285 g·mol−1
Heat of Formation -812.6 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 285.93 Å 3
Surface Area 244.45 Å 2
HOMO Energy -10.27 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (3z,5s,6s,12r)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
CAS Number(s)
  • 96443-55-9
InChIKey PLHJPQNLCWFPFY-DCOWIPOFSA-N
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