DYD
Summary
| Name: | (2S,5S)-hexane-2,5-diol |
| Formula: | C6 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 118.174 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,5S)-hexane-2,5-diol |
| OpenEye OEToolkits | 2.0.6 | (2~{S},5~{S})-hexane-2,5-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(CCC(C)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | OHMBHFSEKCCCBW-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)CC[C@H](C)O |
| SMILES | CACTVS | 3.385 | C[CH](O)CC[CH](C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](CC[C@H](C)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(CCC(C)O)O |
