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Chemical Molecules
Molecule Details
| Molecule ID | MOL21 | ||
| Compound Name | Himachala-2,4-diene | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | Himachala-2,4-diene |
| Synonym Name | JMGZKUMTFGHNRS-UHFFFAOYSA-N, DTXSID901019233, 60909-27-5, 2,2,6,10-tetramethylbicyclo[5.4.0]undeca-1(11),9-diene |
| CAS ID | 60909-27-5 |
| IUPAC Name | 3,5,5,9-tetramethyl-1,6,7,8,9,9a-hexahydrobenzo[7]annulene |
| Molecular Formula | " C15H24" |
| Chemical Safety | Nil |
| External Database ID |
583791 |
| Inchi | InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h7,10,12-13H,5-6,8-9H2,1-4H3 |
| INCHI Key | JMGZKUMTFGHNRS-UHFFFAOYSA-N |
| Canonical SMILES | CC1CCCC(C2=CC(=CCC12)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 |
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Chemical & Physical Properties
| Molecular Weight | " 204.35 g/mol" |
| LogP (Octanol-Water) | 5.489 |
| 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 | emi-standard non-polar: 1429, 1495 |
| Physical Description |
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Spectra Information
Biological Activities
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