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Chemical Molecules
Molecule Details
| Molecule ID | MOL43 | ||
| Compound Name | alpha-Longipinene | ||
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Structure Image
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Primary Details
| Compound Name | alpha-Longipinene |
| Synonym Name | Longipinene |
| CAS ID | 8/2/5989 |
| IUPAC Name | (1R,2S,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,8]undec-9-ene |
| Molecular Formula | " C15H24" |
| Chemical Safety | |
| External Database ID |
12311396 |
| Inchi | InChI=1S/C15H24/c1-10-6-7-11-13-12(10)15(11,4)9-5-8-14(13,2)3/h6,11-13H,5,7-9H2,1-4H3/t11-,12+,13-,15+/m1/s1 |
| INCHI Key | HICYDYJTCDBHMZ-COMQUAJESA-N |
| Canonical SMILES | CC1=CCC2C3C1C2(CCCC3(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 |
Alpha-longipinene is a sesquiterpene and bridged compound, characterized by a tricyclo[5.4.0.0(2,8)]undecane structure. Methyl groups adorn positions 2, 6, 6, and 9, with a double bond present between positions 9 and 10. This molecule exhibits bridged features, is a polycyclic olefin, and falls within the sesquiterpene class. |
Chemical & Physical Properties
| Molecular Weight | 204.35 g/mol |
| LogP (Octanol-Water) | 5.652 |
| 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 | |
| Physical Description |
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Spectra Information
Biological Activities
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