HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,4-Hexadiene, 5-methyl-
CH2=CHCH2CH=C(CH3)2 · 5-methylhexa-1,4-diene · 5-Methyl-1,4-hexadiene · 1,4-Hexadiene, 5-methyl-
Identifiers & Physical Properties
| CAS No. | 763-88-2 |
|---|---|
| Molecular formula | C7H12 |
| Average molar mass | 96.17 g/mol |
| Monoisotopic mass | 96.09390038 g/mol |
| SMILES | C=CCC=C(C)C |
| InChIKey | VSQLAQKFRFTMNS-UHFFFAOYSA-N |
| PubChem CID | 69813 |
| DTXSID | DTXSID00227174 |
Chemical & Physical Properties
| XLogP | 3 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 2 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 74 |
| SpringerMaterials Properties | Density |
| Boiling point | 91.0-92.5 °C |
| Density | 0.7258 g/cm3 |