RefChem:367032
4-tert-butyl-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-Propyl-4-tert-butylbicycloorthocarboxylate|2,6,7-Trioxabicyclo(2.2.2)octane, 4-tert-butyl-1-propyl-|Orthobutyric acid, cyclic ester with 2-(tert-butyl)-2-(hydroxymethyl)-1,3-propanediol|4-TERT-BUTYL-1-PROPYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE|1-tert-butyl-4-propyl-3,5,8-trioxabicyclo[2.2.2]octane|2,6,7-Trioxabicyclo[2.2.2]octane, 4-(1,1-dimethylethyl)-1-propyl-|2,6,7-Trioxabicyclo[2.2.2]octane,4-(1,1-dimethylethyl)-1-propyl-|Orthovaleric acid, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.15689 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.15689 |
| Monoisotopic Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 70636-95-2 |
|---|---|
| SMILES | CCCC12OCC(CO1)(CO2)C(C)(C)C |
| InChIKey | FQIMECQOOZKMKC-UHFFFAOYSA-N |
Product Overview
RefChem:367032 (CAS 70636-95-2), with molecular formula C12H22O3 and molecular weight 214.15689 g/mol. IUPAC: 4-tert-butyl-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane.
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