HuagongsheHuagongshe Chemistry Print Report · For research reference only
Malonic acid, diethyl-, ethyl isobutyl ester
Diethylmalonic acid 1-ethyl 3-isobutyl ester · Propanedioic acid, 2,2-diethyl-, 1-ethyl 3-(2-methylpropyl) ester
Identifiers & Physical Properties
| CAS No. | 63917-09-9 |
|---|---|
| Molecular formula | C13H24O4 |
| Average molar mass | 244.33 g/mol |
| Monoisotopic mass | 244.16745924 g/mol |
| SMILES | CCOC(=O)C(CC)(CC)C(=O)OC(C)CC |
| InChIKey | KIXXIXABYBOQEB-UHFFFAOYSA-N |
| PubChem CID | 45261 |
| DTXSID | DTXSID20981044 |
Chemical & Physical Properties
| XLogP | 3.5 |
|---|---|
| Topological polar surface area | 52.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 9 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 256 |