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Chemical Molecules
Molecule Details
| Molecule ID | MOL25 | ||
| Compound Name | Neoisolongifolene | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | Neoisolongifolene |
| Synonym Name | Neoisolongifolene, 8-bromo-, DRISYGHYCMWXSH-UHFFFAOYSA-N |
| CAS ID | |
| IUPAC Name | 2-bromo-5,5,11,11-tetramethyltricyclo[6.2.1.01,6]undec-6-ene |
| Molecular Formula | C15H23Br |
| Chemical Safety | |
| External Database ID |
609003 |
| Inchi | InChI=1S/C15H23Br/c1-13(2)7-6-12(16)15-8-5-10(9-11(13)15)14(15,3)4/h9-10,12H,5-8H2,1-4H3 |
| INCHI Key | DRISYGHYCMWXSH-UHFFFAOYSA-N |
| Canonical SMILES | CC1(CCC(C23C1=CC(C2(C)C)CC3)Br)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 | 283.25 g/mol |
| LogP (Octanol-Water) | 5.368 |
| 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: 1639 |
| Physical Description |
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Spectra Information
Biological Activities
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