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Chemical Molecules
Molecule Details
| Molecule ID | MOL33 | ||
| Compound Name | 4,5,9,10-Dihydro-isolongifolene | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | 4,5,9,10-Dihydro-isolongifolene |
| Synonym Name | DTXSID901020775 |
| CAS ID | 156747-45-4 |
| IUPAC Name | 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene |
| Molecular Formula | C15H20 |
| Chemical Safety | Nil |
| External Database ID |
588771 |
| Inchi | InChI=1S/C15H20/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-9,11H,10H2,1-4H3 |
| INCHI Key | MOLSSUUBCUMURN-UHFFFAOYSA-N |
| Canonical SMILES | CC1(C=CC=C2C13CC(C2(C)C)C=C3)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 |
4,5,9,10-Dehydroisolongifolene is a carbotricyclic compound with a 1,5-dihydro-2H-2,4a-methanonaphthalene structure, featuring four methyl groups at positions 1, 1, 5, and 5. Known for its diverse roles, it serves as an insect attractant, a component in volatile oils, a metabolite in Aspergillus, a human metabolite, and a plant metabolite. Categorized as a carbotricyclic compound, a volatile organic compound, a sesquiterpene, and a polycyclic olefin, its properties make it versatile in various applications. |
Chemical & Physical Properties
| Molecular Weight | 200.32Â g/mol |
| LogP (Octanol-Water) | 4.712 |
| 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 | Semi-standard non-polar: 1544 |
| Physical Description |
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Spectra Information
Biological Activities
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