3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate
(3-hydroxy-2,4,4-trimethylpentyl) 2-methylpropanoate
Also Known As: c12-propanate B|Propanoic acid, 2-methyl-, 3-hydroxy-2,4,4-trimethylpentyl ester|3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate|2,4,4-Trimethyl-1,3-pentanediol 1-isobutyrate|(3-hydroxy-2,4,4-trimethylpentyl) 2-methylpropanoate|PROPANOICACID,2-METHYL-,3-HYDROX|3-Hydroxy-2,4,4-trimethylpentyl isobutyrate|2-methylpropanoic acid 3-hydroxy-2,4,4-trimethylpentyl ester|3-Hydroxy-2,2,4-trimethylpentyl ester of isobutanoic acid|3-HYDROXY-2,4,4-TRIMETHYLPENTYL-2-METHYLPROPANOATE|2-Methylpropanoic acid 2,4,4-trimethyl-3-hydroxypentyl ester|2-Methylpropionic acid 3-hydroxy-2,4,4-trimethylpentyl ester|Propanoicacid,2-methyl-,3-hydroxy-2,4,4-trimethylpentylester|2-methyl propanoic acid, 3-hydroxy-2,4,4-trimethylpentyl ester|Propanoic acid,2-methyl-, 3-hydroxy-2,4,4-trimethylpentyl ester
| Molecular Formula | C12H24O3 |
|---|---|
| Molecular Weight | 216.17255 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 216.17255 |
| Monoisotopic Mass | 216.17255 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 74367-34-3 |
|---|---|
| SMILES | CC(C)C(=O)OCC(C)C(C(C)(C)C)O |
| InChIKey | WXFRFCWHHBELIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate (CAS 74367-34-3), with molecular formula C12H24O3 and molecular weight 216.17255 g/mol. IUPAC: (3-hydroxy-2,4,4-trimethylpentyl) 2-methylpropanoate.