(1S,5R,6S)-5-Hydroxy-3-[(1R)-1-Hydroxy-3-Methyl-2-Buten-1-Yl]-7-Oxabicyclo[4.1.0]Hept-3-En-2-One

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Properties Simple | Detailed

Formula C11H14O4
IUPAC Name (1s,2r,6s)-2-hydroxy-4-[(1r)-1-hydroxy-3-methyl-but-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one
Molecular Mass 210.226 g·mol−1
Heat of Formation -498.6 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 250.23 Å 3
Surface Area 233.47 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,6s)-2-hydroxy-4-[(1r)-1-hydroxy-3-methyl-but-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one
  • (1s,2r,6s)-2-hydroxy-4-[(1r)-1-hydroxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one
  • smp2_000008
InChIKey MBXKEYXHJAZKBP-DEKFOEGESA-N
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