2-Methyl-3-[(E)-3,7,11,15-Tetramethylhexadec-2-Enyl]Naphthalene-1,4-Dione
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL520156 | |
| PubChem: | 5280483 | |
| IUPAC: | 2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione | |
| Standard InChI: | InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+ | |
| Standard InChI Key: | MBWXNTAXLNYFJB-LKUDQCMESA-N | |
| SMILES: | CC(CCCC(CCCC(C)C)C)CCC/C(=C/CC1=C(C)C(=O)c2c(C1=O)cccc2)/C | |
Molecular propeties
| ||
| AlogP: | 9.16 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 14 | |
| Number of rings: | 2 | |
| Molecular Weight: | 450.35 | |
| Topological polar surface area: | 34.1 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.548 | |
| Number of carbons: | 31 | |