(3E,7R)-1-[(2S,6Z)-3-Hydroxy-6-(2-Hydroxyethylidene)-2-Methyl-2-Oxepanyl]-4,7,8-Trimethyl-3-Nonen-5-One
Properties
| Property | Value |
|---|---|
| Formula | C21H36O4 |
| IUPAC Name | (e,7r)-1-[(2s,3s,6z)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl]-4,7,8-trimethyl-non-3-en-5-one |
| Molecular Mass | 352.508 g·mol−1 |
| Heat of Formation | -870.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.85 ± 1.08 D |
| Volume | 483.35 Å 3 |
| Surface Area | 373.51 Å 2 |
| HOMO Energy | -9.73 ± 0.55 eV |
| LUMO Energy | 0.36 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CZBZIFYYQJXPKZ-RCJYOIKYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |