MPD
Summary
| Name: | (4S)-2-METHYL-2,4-PENTANEDIOL |
| Formula: | C6 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 118.174 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | (4S)-2-methylpentane-2,4-diol |
| OpenEye OEToolkits | 1.6.1 | (4S)-2-methylpentane-2,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | OC(C)CC(O)(C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | C[C@H](O)CC(C)(C)O |
| SMILES | CACTVS | 3.352 | C[CH](O)CC(C)(C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@@H](CC(C)(C)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(CC(C)(C)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | SVTBMSDMJJWYQN-YFKPBYRVSA-N |
