A1EBM
Summary
| Name: | (~{Z})-5-methyl-2-propan-2-yl-hex-2-enal |
| Formula: | C10 H18 O |
| Formal charge: | 0 |
| Formula weight: | 154.249 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{Z})-5-methyl-2-propan-2-yl-hex-2-enal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h6-9H,5H2,1-4H3/b10-6+ |
| InChIKey | InChI | 1.06 | IOLQAHFPDADCHJ-UXBLZVDNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C\C=C(C=O)\C(C)C |
| SMILES | CACTVS | 3.385 | CC(C)CC=C(C=O)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C/C=C(\C=O)/C(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC=C(C=O)C(C)C |
