Alpha-Tochopherol
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL49563 | |
| PubChem: | 2116 | |
| IUPAC: | 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol | |
| Standard InChI: | InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3 | |
| Standard InChI Key: | GVJHHUAWPYXKBD-UHFFFAOYSA-N | |
| SMILES: | CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C | |
Molecular propeties
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| AlogP: | 8.84 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 12 | |
| Number of rings: | 2 | |
| Molecular Weight: | 430.38 | |
| Topological polar surface area: | 29.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.793 | |
| Number of carbons: | 29 | |