Ethyl Dodecanoate
Representations & DB's id
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| ChEBI: | CHEBI:87427 | |
|---|---|---|
| ChEMBL: | CHEMBL3187842 | |
| PubChem: | 7800 | |
| IUPAC: | ethyl dodecanoate | |
| Standard InChI: | InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3 | |
| Standard InChI Key: | MMXKVMNBHPAILY-UHFFFAOYSA-N | |
| SMILES: | CCCCCCCCCCCC(=O)OCC | |
Molecular propeties
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| AlogP: | 4.47 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 11 | |
| Number of rings: | 0 | |
| Molecular Weight: | 228.21 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.929 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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