[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienyl] Acetate
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL3184169 | |
| PubChem: | 638500 | |
| IUPAC: | [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate | |
| Standard InChI: | InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+ | |
| Standard InChI Key: | ZGIGZINMAOQWLX-NCZFFCEISA-N | |
| SMILES: | C/C(=CCC/C(=C/COC(=O)C)/C)/CCC=C(C)C | |
Molecular propeties
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| AlogP: | 4.97 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 0 | |
| Molecular Weight: | 264.21 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.588 | |
| Number of carbons: | 17 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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