EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:179936 - Isopropyl 2-methylbutanoate
| Formula | C8H16O2 |
| Net Charge | 0 |
| Average Mass | 144.214 |
| Monoisotopic Mass | 144.11503 |
| SMILES | CCC(C)C(=O)OC(C)C |
| InChI | InChI=1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3 |
| InChIKey | DIRDKDDFAMNBNY-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Isopropyl 2-methylbutanoate (CHEBI:179936) is a fatty acid ester (CHEBI:35748) |
| IUPAC Name |
|---|
| propan-2-yl 2-methylbutanoate |
| Manual Xrefs | Databases |
|---|---|
| 455530 | ChemSpider |
| HMDB0039217 | HMDB |
| LMFA07010920 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| CAS:66576-71-4 | ChemIDplus |