(1R,7S)-3-Allyl-7-[(R)-1,3-Benzodioxol-5-Yl(Hydroxy)Methyl]-6-Methoxy-7-Methylbicyclo[3.1.1]Hepta-3,5-Dien-2-One

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Properties Simple | Detailed

Formula C20H20O5
IUPAC Name (1r,6s)-3-allyl-6-[(r)-1,3-benzodioxol-5-yl(hydroxy)methyl]-7-methoxy-6-methyl-bicyclo[3.1.1]hepta-3,5(7)-dien-2-one
Molecular Mass 340.370 g·mol−1
Heat of Formation -150.7 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 401.99 Å 3
Surface Area 325.45 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
InChIKey NOXNHMNKQIHADP-PWIZWCRZSA-N
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Elements H C O