A1EBV
Summary
| Name: | (3~{S})-3,7-dimethyloct-6-enal |
| Synonyms: | (S)-(-)-Citronellal |
| 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 | (3~{S})-3,7-dimethyloct-6-enal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | NEHNMFOYXAPHSD-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CCC=C(C)C)CC=O |
| SMILES | CACTVS | 3.385 | C[CH](CCC=C(C)C)CC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CCC=C(C)C)CC=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CCC=C(C)C)CC=O |
