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Chemical Molecules
Molecule Details
| Molecule ID | MOL22 | ||
| Compound Name | Longiborneol | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | Longiborneol |
| Synonym Name | decahydro-1,5,5,8a-tetramethyl-1,4-methanoazulen-9-ol, 2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol, 465-24-7 |
| CAS ID | |
| IUPAC Name | 2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol |
| Molecular Formula | |
| Chemical Safety | |
| External Database ID |
521200 |
| Inchi | InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)10-6-9-15(14,4)12(16)11(10)13/h10-12,16H,5-9H2,1-4H3 |
| INCHI Key | MNNFKQAYXGEKFA-UHFFFAOYSA-N |
| Canonical SMILES | CC1(CCCC2(C3C1C(C2(CC3)C)O)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 |
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Chemical & Physical Properties
| Molecular Weight | 222.37 g/mol |
| LogP (Octanol-Water) | 4.386 |
| Hydrogen Donor Count | 1 |
| Bond Acceptor Count | 1 |
| Rotable Bond Count | 0 |
| Topological Surface Area | 20.2 Ų |
| Heavy Atom Count | 16 |
| 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 | |
| Physical Description |
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Spectra Information
Biological Activities
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| References |
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