AA 863
2-(12-hydroxydodeca-5,10-diynyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
Also Known As: AA 863|AA-863|AA863|2,5-Cyclohexadiene-1,4-dione, 2-(12-hydroxy-5,10-dodecadiynyl)-5,6-dimethoxy-3-methyl-|2-(12-hydroxydodeca-5,10-diynyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione|2,5-Cyclohexadiene-1,4-dione,2-(12-hydroxy-5,10-dodecadiyn-1-yl)-5,6-dimethoxy-3-methyl-|2,3-dimethoxy-5-methyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone|2-(12-HYDROXYDODECA-5,10-DIYN-1-YL)-5,6-DIMETHOXY-3-METHYLCYCLOHEXA-2,5-DIENE-1,4-DIONE|2-(12-Hydroxy-5,10-dodecadiyn-1-yl)-5,6-dimethoxy-3-methyl-2,5-cyclohexadiene-1,4-dione|2-(12-HYDROXY-5,10-DODECADIYNYL)-5,6-DIMETHOXY-3-METHYL-2,5-CYCLOHEXADIENE-1,4-DIONE
| Molecular Formula | C21H26O5 |
|---|---|
| Molecular Weight | 358.178 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 358.178 |
| Monoisotopic Mass | 358.178 |
| Heavy Atoms | 26 |
| Complexity | 727.0 |
Chemical Identifiers
| CAS Number | 80809-95-6 |
|---|---|
| SMILES | CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCC#CCCCC#CCO |
| InChIKey | XZNSTIQKLTYQRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AA 863 (CAS 80809-95-6), with molecular formula C21H26O5 and molecular weight 358.178 g/mol. IUPAC: 2-(12-hydroxydodeca-5,10-diynyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione.