RE6
Summary
| Name: | (5R)-5-methylheptanoic acid |
| Formula: | C8 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 144.211 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5R)-5-methylheptanoic acid |
| OpenEye OEToolkits | 2.0.7 | (5~{R})-5-methylheptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCC(C)CCCC(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C8H16O2/c1-3-7(2)5-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m1/s1 |
| InChIKey | InChI | 1.06 | OJTHHBCWUMTZEY-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](C)CCCC(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](C)CCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H](C)CCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C)CCCC(=O)O |
