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Chemical Molecules
Molecule Details
| Molecule ID | MOL48 | ||
| Compound Name | Dauca-5,8-diene | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | Dauca-5,8-diene |
| Synonym Name | |
| CAS ID | |
| IUPAC Name | 3a,6-dimethyl-1-propan-2-yl-2,3,4,7-tetrahydro-1H-azulene |
| Molecular Formula | C15H24 |
| Chemical Safety | |
| External Database ID |
6429136 |
| Inchi | InChI=1S/C15H24/c1-11(2)13-8-10-15(4)9-7-12(3)5-6-14(13)15/h6-7,11,13H,5,8-10H2,1-4H3 |
| INCHI Key | BHBPAHCSCDYJBF-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CCC2(CCC(C2=CC1)C(C)C)C |
| 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 | 204.35 g/mol |
| LogP (Octanol-Water) | 5.616 |
| Hydrogen Donor Count | 0 |
| Bond Acceptor Count | 0 |
| Rotable Bond Count | 1 |
| 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 | |
| Vapour Pressure | Nil |
| Molecule Density | Nil |
| Molecule Stability | Nil |
| Kovats retention Index | Nil |
| Physical Description |
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Spectra Information
Biological Activities
| Activity Name | |
| Molecule Target | |
| Comment |
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| References |
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