HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,4-Heptadiene, 3-methyl-
Identifiers & Physical Properties
| CAS No. | 1603-01-6 |
|---|---|
| Molecular formula | C8H14 |
| Average molar mass | 110.2 g/mol |
| Monoisotopic mass | 110.10955045 g/mol |
| SMILES | C=CC(C)/C=C/CC |
| InChIKey | FBJNXQPYIFUANI-VOTSOKGWSA-N |
| PubChem CID | 5367580 |
| DTXSID | DTXSID901364454 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 3 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 80 |
| SpringerMaterials Properties | Density |