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Chemical Molecules
Molecule Details
| Molecule ID | MOL39 | ||
| Compound Name | 9,10-Dehydro-isolongifolene | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | 9,10-Dehydro-isolongifolene |
| Synonym Name | Isolongifolene, 9,10-dehydro- |
| CAS ID | 67530-11-4 |
| IUPAC Name | 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene |
| Molecular Formula | C15H22 |
| Chemical Safety | |
| External Database ID |
583109 |
| Inchi | InChI=1S/C15H22/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-6,8,11H,7,9-10H2,1-4H3 |
| INCHI Key | UIPKEVNEOFKIRG-UHFFFAOYSA-N |
| Canonical SMILES | CC1(C=CC=C2C13CCC(C3)C2(C)C)C |
| Molecule Type | - |
| Group | - |
| Sub-Group 1 | - |
| Sub-Group 2 | - |
| Sub-Group 3 | - |
| Sub-Group 4 | - |
| Sub-Group 5 | - |
| Description |
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Chemical & Physical Properties
| Molecular Weight | 202.33 g/mol |
| LogP (Octanol-Water) | 4.949 |
| 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 | |
| Vapour Pressure | Nil |
| Molecule Density | |
| Molecule Stability | Nil |
| Kovats retention Index | |
| Physical Description |
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Spectra Information
Biological Activities
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