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Chemical Molecules
Molecule Details
| Molecule ID | MOL57 | ||
| Compound Name | 5-(2-Methylpropyl)nonane | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | 5-(2-Methylpropyl)nonane |
| Synonym Name | 5-Isobutylnonane |
| CAS ID | 62185-53-9 |
| IUPAC Name | 5-(2-methylpropyl)nonane |
| Molecular Formula | C13H28 |
| Chemical Safety | |
| External Database ID |
545936 |
| Inchi | InChI=1S/C13H28/c1-5-7-9-13(10-8-6-2)11-12(3)4/h12-13H,5-11H2,1-4H3 |
| INCHI Key | RCOXMOQVMZTXOO-UHFFFAOYSA-N |
| Canonical SMILES | CCCCC(CCCC)CC(C)C |
| Molecule Type | Natural |
| Group | Phytochemicals |
| 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 | 184.36 g/mol |
| LogP (Octanol-Water) | 6.331 |
| Hydrogen Donor Count | 0 |
| Bond Acceptor Count | 0 |
| Rotable Bond Count | 0 |
| Topological Surface Area | 0 |
| Heavy Atom Count | 13 |
| 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 | Nil |
| Physical Description |
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Spectra Information
Biological Activities
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| References |
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