X3E
Summary
| Name: | (2~{S},6~{R})-2,6-dimethyl-1,3-dioxane-4,4-diol |
| Formula: | C6 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 148.157 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},6~{R})-2,6-dimethyl-1,3-dioxane-4,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H12O4/c1-4-3-6(7,8)10-5(2)9-4/h4-5,7-8H,3H2,1-2H3/t4-,5+/m1/s1 |
| InChIKey | InChI | 1.06 | LLPWZEAIWVWWNV-UHNVWZDZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CC(O)(O)O[C@@H](C)O1 |
| SMILES | CACTVS | 3.385 | C[CH]1CC(O)(O)O[CH](C)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CC(O[C@H](O1)C)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC(OC(O1)C)(O)O |
