Methyl (2Z)-[(1R,1As,3Ar,5R,5Ar,5Br)-1,1A,3A,5-Tetraethyl-5A,5B-Dimethylhexahydro-3-Oxacyclobuta[Cd]Pentalen-2(1H)-Ylidene]Acetate
Properties
| Property | Value |
|---|---|
| Formula | C21H34O3 |
| IUPAC Name | methyl (2z)-[(1r,1as,3ar,5r,5ar,5br)-1,1a,3a,5-tetraethyl-5a,5b-dimethylhexahydro-3-oxacyclobuta[cd]pentalen-2(1h)-ylidene]acetate |
| Molecular Mass | 334.493 g·mol−1 |
| Heat of Formation | -701.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.79 ± 1.08 D |
| Volume | 445.33 Å 3 |
| Surface Area | 351.56 Å 2 |
| HOMO Energy | -9.22 ± 0.55 eV |
| LUMO Energy | 3.52 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QJEFDFUVBWNBLH-NYHZXQEESA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |