(1R,8R,9R,10R)-8-Allyl-9-(7-Methoxy-1,3-Benzodioxol-5-Yl)-10-Methyl-2,4-Dioxatricyclo[6.2.1.0~1,5~]Undec-5-En-7-One

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Properties Simple | Detailed

Formula C21H22O6
IUPAC Name (1r,8r,9r,10r)-8-allyl-9-(7-methoxy-1,3-benzodioxol-5-yl)-10-methyl-2,4-dioxatricyclo[6.2.1.0 1,5 ]undec-5-en-7-one
Molecular Mass 370.396 g·mol−1
Heat of Formation -671.5 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 420.48 Å 3
Surface Area 343.82 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • ocobullenone
CAS Number(s)
  • 149990-50-1
InChIKey VMBFNOIPGQFDTB-XFHMVGKKSA-N
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