MOP
Summary
| Name: | 4-METHYLPENTANAL |
| Formula: | C6 H12 O |
| Formal charge: | 0 |
| Formula weight: | 100.159 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-methylpentanal |
| OpenEye OEToolkits | 1.5.0 | 4-methylpentanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=CCCC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)CCC=O |
| SMILES | CACTVS | 3.341 | CC(C)CCC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)CCC=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CCC=O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3 |
| InChIKey | InChI | 1.03 | JGEGJYXHCFUMJF-UHFFFAOYSA-N |
