(9R,10S)-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 (1s,8s,9r,10s)-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 -676.9 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 426.1 Å 3
Surface Area 349.35 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 2.83 ± eV
Point Group Symmetry C1
InChIKey VMBFNOIPGQFDTB-NIVSIOIYSA-N
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