Dimethyl Decanedioate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3186083 | |
| PubChem: | 7829 | |
| IUPAC: | dimethyl decanedioate | |
| Standard InChI: | InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3 | |
| Standard InChI Key: | ALOUNLDAKADEEB-UHFFFAOYSA-N | |
| SMILES: | COC(=O)CCCCCCCCC(=O)OC | |
Molecular propeties
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| AlogP: | 2.45 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 9 | |
| Number of rings: | 0 | |
| Molecular Weight: | 230.15 | |
| Topological polar surface area: | 52.6 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.833 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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