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Chemical Molecules
Molecule Details
| Molecule ID | MOL51 | ||
| Compound Name | Murolan-3,9(11)-diene-10-peroxy | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | Murolan-3,9(11)-diene-10-peroxy |
| Synonym Name | naphthalenyl hydroperoxide |
| CAS ID | |
| IUPAC Name | 4-hydroperoxy-8-methyl-3-methylidene-5-propan-2-yl-2,4,4a,5,8,8a-hexahydro-1H-naphthalene |
| Molecular Formula | C15H24O2 |
| Chemical Safety | |
| External Database ID |
536595 |
| Inchi | InChI=1S/C15H24O2/c1-9(2)12-7-5-10(3)13-8-6-11(4)15(17-16)14(12)13/h5,7,9-10,12-16H,4,6,8H2,1-3H3 |
| INCHI Key | DFHGJIJFSPSKJV-UHFFFAOYSA-N |
| Canonical SMILES | CC1C=CC(C2C1CCC(=C)C2OO)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 | 236.35 g/mol |
| LogP (Octanol-Water) | 3.278 |
| Hydrogen Donor Count | 1 |
| Bond Acceptor Count | 2 |
| Rotable Bond Count | 2 |
| Topological Surface Area | 29.5 Ų |
| Heavy Atom Count | 17 |
| 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 | |
| Physical Description |
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Spectra Information
Biological Activities
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