Dibutyl Oxalate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3185643 | |
| PubChem: | 16306 | |
| IUPAC: | dibutyl oxalate | |
| Standard InChI: | InChI=1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3 | |
| Standard InChI Key: | JKRZOJADNVOXPM-UHFFFAOYSA-N | |
| SMILES: | CCCCOC(=O)C(=O)OCCCC | |
Molecular propeties
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| AlogP: | 1.67 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 0 | |
| Molecular Weight: | 202.12 | |
| Topological polar surface area: | 52.6 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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