LTL
Summary
| Name: | 6-HYDROXY-6-METHYL-HEPTAN-3-ONE |
| Formula: | C8 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 144.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-hydroxy-6-methylheptan-3-one |
| OpenEye OEToolkits | 1.5.0 | 6-hydroxy-6-methyl-heptan-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(CC)CCC(O)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CCC(=O)CCC(C)(C)O |
| SMILES | CACTVS | 3.341 | CCC(=O)CCC(C)(C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC(=O)CCC(C)(C)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(=O)CCC(C)(C)O |
| InChI | InChI | 1.03 | InChI=1S/C8H16O2/c1-4-7(9)5-6-8(2,3)10/h10H,4-6H2,1-3H3 |
| InChIKey | InChI | 1.03 | FGPMBONEKHYAHO-UHFFFAOYSA-N |
