DK3
Summary
| Name: | methyl (3S)-3-hydroxydodecanoate |
| Formula: | C13 H26 O3 |
| Formal charge: | 0 |
| Formula weight: | 230.344 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methyl (3S)-3-hydroxydodecanoate |
| OpenEye OEToolkits | 1.5.0 | methyl (3S)-3-hydroxydodecanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC)CC(O)CCCCCCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCC[C@H](O)CC(=O)OC |
| SMILES | CACTVS | 3.341 | CCCCCCCCC[CH](O)CC(=O)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCC[C@@H](CC(=O)OC)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCC(CC(=O)OC)O |
| InChI | InChI | 1.03 | InChI=1S/C13H26O3/c1-3-4-5-6-7-8-9-10-12(14)11-13(15)16-2/h12,14H,3-11H2,1-2H3/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | OZXCINYANGIBDB-LBPRGKRZSA-N |
