MHE
Summary
| Name: | 5,5-dimethyl-2-oxohexanoic acid |
| Formula: | C8 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 158.195 Da |
| Component type: | L-peptide NH3 amino terminus |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 5,5-dimethyl-2-oxohexanoic acid |
| OpenEye OEToolkits | 1.6.1 | 5,5-dimethyl-2-oxo-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(C(=O)O)CCC(C)(C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)(C)CCC(=O)C(O)=O |
| SMILES | CACTVS | 3.352 | CC(C)(C)CCC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)(C)CCC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)(C)CCC(=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H14O3/c1-8(2,3)5-4-6(9)7(10)11/h4-5H2,1-3H3,(H,10,11) |
| InChIKey | InChI | 1.03 | XOBCNMHHIDUDSZ-UHFFFAOYSA-N |
