EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C6H12O |
| Net Charge | 0 |
| Average Mass | 100.161 |
| Monoisotopic Mass | 100.08882 |
| SMILES | CCC(C=O)CC |
| InChI | InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3 |
| InChIKey | UNNGUFMVYQJGTD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-Ethylbutanal (CHEBI:173345) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| 2-ethylbutanal |
| Manual Xrefs | Databases |
|---|---|
| HMDB0031220 | HMDB |
| 7081 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:97-96-1 | ChemIDplus |