Brl 20459
4a-methyl-6-(3-oxobutyl)-3,4,5,6,7,8-hexahydronaphthalen-2-one
Also Known As: Brl-20459|Brl 20459|2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl-6-(3-oxobutyl)-|4a-methyl-6-(3-oxobutyl)-3,4,5,6,7,8-hexahydronaphthalen-2-one|4alpha-beta-Methyl-6beta-(3'-oxobutyl)-2,3,4,4a,5,6,7,8-octahydro-2-naphthalenone|4,4a,5,6,7,8-Hexahydro-4a-methyl-6-(3-oxobutyl)-2(3H)-naphthalenone|4a-methyl-6-(3-oxobutyl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one|4a-Methyl-6-(3-oxobutyl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16199 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.16199 |
| Monoisotopic Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 82857-75-8 |
|---|---|
| SMILES | CC(=O)CCC1CCC2=CC(=O)CCC2(C1)C |
| InChIKey | DONOCKFHWHSVEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Brl 20459 (CAS 82857-75-8), with molecular formula C15H22O2 and molecular weight 234.16199 g/mol. IUPAC: 4a-methyl-6-(3-oxobutyl)-3,4,5,6,7,8-hexahydronaphthalen-2-one.
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