(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
Properties
| Property | Value |
|---|---|
| Formula | C20H20O5 |
| IUPAC Name | (1r,7s)-3-allyl-7-[(r)-1,3-benzodioxol-5-yl(hydroxy)methyl]-6-methoxy-7-methyl-bicyclo[3.1.1]hepta-3,5-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 |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |