Ethyl 2-(7-Ethoxy-3-Methyl-7-Oxo-1,3,5-Heptatrien-1-Yl)-1,3-Dimethyl-4-Oxocyclohexanecarboxylate
Properties
| Property | Value |
|---|---|
| Formula | C21H30O5 |
| IUPAC Name | ethyl (1r,2r,3s)-2-[(1e,3e,5e)-7-ethoxy-3-methyl-7-oxo-hepta-1,3,5-trienyl]-1,3-dimethyl-4-oxo-cyclohexanecarboxylate |
| Molecular Mass | 362.460 g·mol−1 |
| Heat of Formation | -923.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.69 ± 1.08 D |
| Volume | 469.39 Å 3 |
| Surface Area | 408.41 Å 2 |
| HOMO Energy | -9.31 ± 0.55 eV |
| LUMO Energy | -0.78 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | STCXGUDTDNHACQ-ZISPEQBUSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |