217
Summary
| Name: | (2S)-HEX-5-ENE-1,2-DIOL |
| Formula: | C6 H12 O2 |
| Formal charge: | 0 |
| Formula weight: | 116.158 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-hex-5-ene-1,2-diol |
| OpenEye OEToolkits | 1.5.0 | (2S)-hex-5-ene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCC(O)CC\C=C |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@H](O)CCC=C |
| SMILES | CACTVS | 3.341 | OC[CH](O)CCC=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C=CCC[C@@H](CO)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C=CCCC(CO)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O2/c1-2-3-4-6(8)5-7/h2,6-8H,1,3-5H2/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | WGTGQGJDNAGBCC-LURJTMIESA-N |
