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Chemical Molecules
Molecule Details
| Molecule ID | MOL20 | ||
| Compound Name | β-himachalene | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | β-himachalene |
| Synonym Name | 1461-03-6, Himachalene, beta.-Himachalene, (R)-beta-himachalene |
| CAS ID | 1461-03-6 |
| IUPAC Name | (4aR)-3,5,5,9-tetramethyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulene |
| Molecular Formula | C15H24 |
| Chemical Safety | Nil |
| External Database ID |
11586487 |
| Inchi | InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,14H,5-9H2,1-4H3/t14-/m0/s1 |
| INCHI Key | LCOSCMLXPAQCLQ-AWEZNQCLSA-N |
| Canonical SMILES | CC1=CC2C(=C(CCCC2(C)C)C)CC1 |
| Molecule Type | - |
| Group | - |
| Sub-Group 1 | - |
| Sub-Group 2 | - |
| Sub-Group 3 | - |
| Sub-Group 4 | - |
| Sub-Group 5 | - |
| Description |
Himachalene, present in cedar oil, especially from Himalayan cedar but also in lesser amounts in various plants, is an organic molecule. It belongs to the benzocycloheptene 1 family of sesquiterpenes, with the chemical formula C15H24. Three variants of himachalene (α, β, and γ-himachalene) exist, differing solely in the location of a double bond around a carbon atom. |
Chemical & Physical Properties
| Molecular Weight | 204.35 g/mol |
| LogP (Octanol-Water) | 6.014 |
| 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 | Standard polar: 1706, 1704, 1717, 1706, 1713, 1736, 1736, 1738, 1717, 1752, 1718, 1715, 1740, 1718, 1705, 1742, 1684, 1729, 1718, 1711, 1718, 1718 |
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Spectra Information
Biological Activities
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