(2S)-2,8-Dimethyl-2-[(4S,8S)-4,8,12-Trimethyltridecyl]-3,4-Dihydrochromen-6-Ol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1734310 | |
| PubChem: | 12444418 | |
| IUPAC: | (2S)-2,8-dimethyl-2-[(4S,8S)-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-/m0/s1 | |
| Standard InChI Key: | GZIFEOYASATJEH-BERHBOFZSA-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
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| 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 | |