n-Butyl pivalate
butyl 2,2-dimethylpropanoate
Also Known As: n-Butyl pivalate|Butyl pivalate|butyl 2,2-dimethylpropanoate|Butyl neopentanoate|Pivalic acid butyl ester|Propanoic acid, 2,2-dimethyl-, butyl ester|butyl-2,2-dimethylpropanoate|2,2-Dimethylpropanoic acid butyl ester|2,2-Dimethylpropionic acid, buthyl ester|2,2-dimethylpropionic acid n-butyl ester|Propanoic acid,2,2-dimethyl-,butyl ester|J1.796.216G|N/A
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13068 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.13068 |
| Monoisotopic Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 5129-37-3 |
|---|---|
| SMILES | CCCCOC(=O)C(C)(C)C |
| InChIKey | FCDMDSDHBVPGGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Butyl pivalate (CAS 5129-37-3), with molecular formula C9H18O2 and molecular weight 158.13068 g/mol. IUPAC: butyl 2,2-dimethylpropanoate.
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