Trans-Phytol
Representations & DB's id
| ||
| ChEBI: | CHEBI:17327 | |
|---|---|---|
| ChEMBL: | CHEMBL1644111 | |
| PubChem: | 5280435 | |
| IUPAC: | (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol | |
| Standard InChI: | InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1 | |
| Standard InChI Key: | BOTWFXYSPFMFNR-PYDDKJGSSA-N | |
| SMILES: | OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C | |
Molecular propeties
| ||
| AlogP: | 6.36 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 13 | |
| Number of rings: | 0 | |
| Molecular Weight: | 296.31 | |
| Topological polar surface area: | 20.2 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.9 | |
| Number of carbons: | 20 | |