(1S,2S,4Ar,5R,8R,8Ar)-8-[(5R)-5-Chloro-2,6,6-Trimethyltetrahydro-2H-Pyran-2-Yl]-1,5-Diisocyano-2,5-Dimethyldecahydro-2-Naphthalenol
Properties
| Property | Value |
|---|---|
| Formula | C22H33ClN2O2 |
| IUPAC Name | (1s,2s,4ar,5r,8r,8ar)-8-[(2s,5r)-5-chloro-2,6,6-trimethyl-tetrahydropyran-2-yl]-1,5-diisocyano-2,5-dimethyl-decalin-2-ol |
| Molecular Mass | 392.963 g·mol−1 |
| Heat of Formation | -332.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.35 ± 1.08 D |
| Volume | 504.31 Å 3 |
| Surface Area | 363.96 Å 2 |
| HOMO Energy | -9.81 ± 0.55 eV |
| LUMO Energy | 3.95 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ULUHGZAAPMJKNO-CGYKTZFGSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |