KP1
Summary
| Name: | 2,4-dimethylpentane-2,4-diol |
| Formula: | C7 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 132.201 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,4-dimethylpentane-2,4-diol |
| OpenEye OEToolkits | 1.7.6 | 2,4-dimethylpentane-2,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(C)(C)CC(O)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C7H16O2/c1-6(2,8)5-7(3,4)9/h8-9H,5H2,1-4H3 |
| InChIKey | InChI | 1.03 | DBTGFWMBFZBBEF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(O)CC(C)(C)O |
| SMILES | CACTVS | 3.370 | CC(C)(O)CC(C)(C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(CC(C)(C)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(CC(C)(C)O)O |
