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Chemical Molecules
Molecule Details
| Molecule ID | MOL47 | ||
| Compound Name | Isopinocampheol | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | Isopinocampheol |
| Synonym Name | (+)-Isopinocampheol, Rac-Isopinocampheol |
| CAS ID | 27779-29-9 |
| IUPAC Name | (1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol |
| Molecular Formula | |
| Chemical Safety | |
| External Database ID |
90350 |
| Inchi | InChI=1S/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7+,8-,9-/m0/s1 |
| INCHI Key | REPVLJRCJUVQFA-KZVJFYERSA-N |
| Canonical SMILES | CC1C2CC(C2(C)C)CC1O |
| 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 | 154.25 g/mol |
| LogP (Octanol-Water) | 2.662 |
| Hydrogen Donor Count | 1 |
| Bond Acceptor Count | 1 |
| Rotable Bond Count | 0 |
| Topological Surface Area | 20.2 Ų |
| Heavy Atom Count | 11 |
| Melting Point | Nil |
| Boiling Point | Nil |
| Water Solubility | Nil |
| Henry's Law Constant | Nil |
| pKa Dissociation Constant | |
| Vapour Pressure | |
| Molecule Density | |
| Molecule Stability | |
| Kovats retention Index | |
| Physical Description |
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Spectra Information
Biological Activities
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