0VT
Summary
| Name: | 6-methylhept-5-en-2-one |
| Synonyms: | 6-methyl-5-hepten-2-one |
| Formula: | C8 H14 O |
| Formal charge: | 0 |
| Formula weight: | 126.196 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-methylhept-5-en-2-one |
| OpenEye OEToolkits | 1.7.6 | 6-methylhept-5-en-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)CC\C=C(/C)C |
| InChI | InChI | 1.03 | InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3 |
| InChIKey | InChI | 1.03 | UHEPJGULSIKKTP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)=CCCC(C)=O |
| SMILES | CACTVS | 3.370 | CC(C)=CCCC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=CCCC(=O)C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=CCCC(=O)C)C |
