XOG
Summary
| Name: | (2E,6E)-2,6-dimethylocta-2,6-dienedial |
| Synonyms: | 8-oxogeranial |
| Formula: | C10 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 166.217 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E,6E)-2,6-dimethylocta-2,6-dienedial |
| OpenEye OEToolkits | 1.9.2 | (2E,6E)-2,6-dimethylocta-2,6-dienedial |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C[C@H]=C(C)CC[C@H]=C(C)C=O |
| InChI | InChI | 1.03 | InChI=1S/C10H14O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-8H,3-4H2,1-2H3/b9-6+,10-5+ |
| InChIKey | InChI | 1.03 | GRHWFPUCRVCMRY-TXFIJWAUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C(CC\C=C(/C)C=O)=C/C=O |
| SMILES | CACTVS | 3.385 | CC(CCC=C(C)C=O)=CC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C/C(=C\C=O)/CC/C=C(\C)/C=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=CC=O)CCC=C(C)C=O |
