(3S,8R)-5-Benzoyl-6,6-Dimethyl-1,3-Bis(3-Methyl-2-Buten-1-Yl)-8-(2-Methyl-1-Propen-1-Yl)-2,4,9-Adamantanetrione
Properties
| Property | Value |
|---|---|
| Formula | C33H40O4 |
| IUPAC Name | (1s,3r,5s,7s,8r)-5-benzoyl-6,6-dimethyl-1,3-bis(3-methylbut-2-enyl)-8-(2-methylprop-1-enyl)adamantane-2,4,9-trione |
| Molecular Mass | 500.668 g·mol−1 |
| Heat of Formation | -622.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.16 ± 1.08 D |
| Volume | 633.74 Å 3 |
| Surface Area | 465.95 Å 2 |
| HOMO Energy | -9.26 ± 0.55 eV |
| LUMO Energy | 2.61 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OXIJJPXPEHKVOL-QPVKZNJOSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |