E309
Representations & DB's id
| ||
| ChEBI: | CHEBI:47772 | |
|---|---|---|
| ChEMBL: | CHEMBL1451395 | |
| PubChem: | 92094 | |
| IUPAC: | (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol | |
| Standard InChI: | InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m1/s1 | |
| Standard InChI Key: | GZIFEOYASATJEH-VHFRWLAGSA-N | |
| SMILES: | C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)cc(c2)O)CCC[C@@H](CCCC(C)C)C | |
Molecular propeties
| ||
| AlogP: | 8.22 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 12 | |
| Number of rings: | 2 | |
| Molecular Weight: | 402.35 | |
| Topological polar surface area: | 29.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.778 | |
| Number of carbons: | 27 | |