tert-Butylbicyclo-2-benzoate
4-tert-butyl-1-(4-tritiophenyl)-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: TBOB|tert-Butylbicyclo-2-benzoate|t-BB2B|tert-Butylbicyclo-ortho-benzoate|SID:53787027|4-tert-butyl-1-(4-tritiophenyl)-2,6,7-trioxabicyclo[2.2.2]octane|4-(1,1-Dimethylethyl)-1-(phenyl-4-t)-2,6,7-trioxabicyclo(2.2.2)octane|1-tert-butyl-4-(4-tritiophenyl)-3,5,8-trioxabicyclo[2.2.2]octane|4-tert-Butyl-1-(4-~3~H)phenyl-2,6,7-trioxabicyclo[2.2.2]octane|2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(phenyl-4-t)-
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 250.14948 g/mol |
| LogP | 2.91 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.14948 |
| Heavy Atoms | 18 |
| Complexity | 450.6 |
Chemical Identifiers
| CAS Number | 98774-24-4 |
|---|---|
| SMILES | [3H]C1=CC=C(C=C1)C23OCC(CO2)(CO3)C(C)(C)C |
Product Overview
tert-Butylbicyclo-2-benzoate (CAS 98774-24-4), with molecular formula C15H20O3 and molecular weight 250.14948 g/mol. IUPAC: 4-tert-butyl-1-(4-tritiophenyl)-2,6,7-trioxabicyclo[2.2.2]octane.
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