7GA
Summary
| Name: | 2,4-DIMETHYLPENTANAL |
| Formula: | C7 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 130.185 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (2S)-2,4-dimethylpentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H14O2/c1-5(2)4-6(3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | XMKDPSQQDXTCCK-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](C)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](CC(C)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(C)C(=O)O |
