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Chemical Molecules
Molecule Details
| Molecule ID | MOL31 | ||
| Compound Name | Cyperene | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | Cyperene |
| Synonym Name | a-Cyperene |
| CAS ID | 92724-70-4 |
| IUPAC Name | 4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene |
| Molecular Formula | C15H24 |
| Chemical Safety | Nil |
| External Database ID |
99856 |
| Inchi | InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h11-12H,5-9H2,1-4H3 |
| INCHI Key | RTBLDXVIGWSICW-UHFFFAOYSA-N |
| Canonical SMILES | CC1CCC2CC3=C(CCC13C2(C)C)C |
| Molecule Type | Natural |
| Group | Phytochemicals |
| Sub-Group 1 | Terpenoids (Isoprenoids) |
| Sub-Group 2 | sesquiterpenoid |
| Sub-Group 3 | - |
| Sub-Group 4 | - |
| Sub-Group 5 | - |
| Description |
One of the primary chemical constituents discovered in the essential oil of Cyperus rotundus L. is a sesquiterpenic hydrocarbon. |
Chemical & Physical Properties
| Molecular Weight | 204.35 g/mol |
| LogP (Octanol-Water) | 5.16 |
| Hydrogen Donor Count | 0 |
| Bond Acceptor Count | 0 |
| Rotable Bond Count | 0 |
| Topological Surface Area | 0 |
| Heavy Atom Count | 15 |
| Melting Point | Nil |
| Boiling Point | Nil |
| Water Solubility | Nil |
| Henry's Law Constant | Nil |
| pKa Dissociation Constant | Nil |
| Vapour Pressure | Nil |
| Molecule Density | Nil |
| Molecule Stability | Nil |
| Kovats retention Index | Standard polar: 1527, 1520, 1562, 1523, 1540, 1525, 1514, 1529, 1532, 1535, 1535 |
| Physical Description |
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Spectra Information
Biological Activities
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