4-(Hydroxymethyl)-5-{(2Z,6E)-3-(Hydroxymethyl)-9-[(1S,2S)-2-Hydroxy-2,6,6-Trimethylcyclohexyl]-7-Methyl-2,6-Nonadien-1-Yl}-2(5H)-Furanone
Properties
| Property | Value |
|---|---|
| Formula | C25H40O5 |
| IUPAC Name | 3-(hydroxymethyl)-2-[(2z,6e)-3-(hydroxymethyl)-9-(2-hydroxy-2,6,6-trimethyl-cyclohexyl)-7-methyl-nona-2,6-dienyl]-2h-furan-5-one |
| Molecular Mass | 420.582 g·mol−1 |
| Heat of Formation | -1059.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.38 ± 1.08 D |
| Volume | 551.44 Å 3 |
| Surface Area | 385.21 Å 2 |
| HOMO Energy | -9.03 ± 0.55 eV |
| LUMO Energy | -0.45 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BYAXMGMKQCMKDN-RHUSPOEISA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |