3-[(E)-[1-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Methyl]-4,5,6,7-Tetrahydroisobenzofuran-5-Ol
Properties
| Property | Value |
|---|---|
| Formula | C27H42O3 |
| IUPAC Name | (5s)-3-[(e)-[(1s,3ar,7ar)-1-[(1s)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]methyl]-4,5,6,7-tetrahydroisobenzofuran-5-ol |
| Molecular Mass | 414.621 g·mol−1 |
| Heat of Formation | -723.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.90 ± 1.08 D |
| Volume | 554.07 Å 3 |
| Surface Area | 454.67 Å 2 |
| HOMO Energy | -8.50 ± 0.55 eV |
| LUMO Energy | 0.34 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JDORDYYPUXBNLV-BXEZOLOLSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |