HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,1'-(9,9-Dimethyl-9H-xanthene-2,7-diyl)bis(1-hexanone)
Identifiers & Physical Properties
| CAS No. | 791136-95-3 |
|---|---|
| Molecular formula | C27H34O3 |
| Average molar mass | 406.6 g/mol |
| Monoisotopic mass | 406.25079495 g/mol |
| SMILES | CCCCCC(=O)c1ccc2c(c1)C(C)(C)c1cc(C(=O)CCCCC)ccc1O2 |
| InChIKey | CROKULOUEWZFNH-UHFFFAOYSA-N |
| PubChem CID | 165355037 |
| DTXSID | DTXSID401204009 |
Chemical & Physical Properties
| XLogP | 7.5 |
|---|---|
| Topological polar surface area | 43.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 10 |
| Heavy atoms | 30 |
| Formal charge | 0 |
| Complexity | 533 |