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Chemical Molecules
Molecule Details
| Molecule ID | MOL23 | ||
| Compound Name | Isolongifolene | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | Isolongifolene |
| Synonym Name | 1135-66-6, 2H-2,4a-Methanonaphthalene |
| CAS ID | 1135-66-6 |
| IUPAC Name | 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene |
| Molecular Formula | |
| Chemical Safety | Health Hazard |
| External Database ID | 102562 |
| Inchi | InChI=1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3 |
| INCHI Key | CQUAYTJDLQBXCQ-UHFFFAOYSA-N |
| Canonical SMILES | CC1(CCC=C2C13CCC(C3)C2(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 |
(-)-Isolongifolene is a sesquiterpene that can be found in pine cone and Japanese cedar essential oils. |
Chemical & Physical Properties
| Molecular Weight | 204.35 g/mol |
| LogP (Octanol-Water) | 5.483 |
| 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 1608" |
| Physical Description |
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Spectra Information
Biological Activities
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