W2L
Summary
| Name: | (4~{S},6~{S})-4,6-dimethyloctanoic acid |
| Formula: | C10 H20 O2 |
| Formal charge: | 0 |
| Formula weight: | 172.265 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{S},6~{S})-4,6-dimethyloctanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H20O2/c1-4-8(2)7-9(3)5-6-10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)/t8-,9-/m0/s1 |
| InChIKey | InChI | 1.06 | LMFRDZYWEWGVPW-IUCAKERBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C)C[C@@H](C)CCC(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](C)C[CH](C)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H](C)C[C@@H](C)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C)CC(C)CCC(=O)O |
