T2X
Summary
| Name: | (2R)-2-hydroxy-5-methylhexanoic acid |
| Formula: | C7 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 146.184 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-hydroxy-5-methylhexanoic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-5-methyl-2-oxidanyl-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)CCC(O)C(O)=O |
| InChI | InChI | 1.06 | InChI=1S/C7H14O3/c1-5(2)3-4-6(8)7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)/t6-/m1/s1 |
| InChIKey | InChI | 1.06 | PFEZQIWIVSFGSC-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CC[C@@H](O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)CC[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)CC[C@H](C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CCC(C(=O)O)O |
