2-Methylpropyl 2-Methylpropanoate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3188433 | |
| PubChem: | 7351 | |
| IUPAC: | 2-methylpropyl 2-methylpropanoate | |
| Standard InChI: | InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3 | |
| Standard InChI Key: | RXGUIWHIADMCFC-UHFFFAOYSA-N | |
| SMILES: | CC(COC(=O)C(C)C)C | |
Molecular propeties
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| AlogP: | 1.84 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 0 | |
| Molecular Weight: | 144.12 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.875 | |
| Number of carbons: | 8 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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