5-Methoxy-3,3-dimethyl-5-oxopentanoic acid
5-methoxy-3,3-dimethyl-5-oxopentanoic acid
Also Known As: 5-Methoxy-3,3-dimethyl-5-oxopentanoic acid|1-Methyl 3,3-dimethylpentanedioate|Pentanedioic acid, 3,3-dimethyl-, monomethyl ester|3,3-Dimethylglutaric acid 1-methyl ester|5-Methoxy-3,3-dimethyl-5-oxopentanoicacid|3,3-dimethylpentanedioic acid monomethyl ester|5-methoxy-3,3-dimethyl-5-oxo-pentanoic acid|J2.066.094E|5-Methoxy-3,3-dimethyl-5-oxopentanoic acid #|Pentanedioic acid, 3,3-dimethyl-, 1-methyl ester|2,2-dimethyl-propane-1,3-dicarboxylicacidmonomethylester|868-667-8
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.0892 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.0892 |
| Monoisotopic Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 27151-66-2 |
|---|---|
| SMILES | CC(C)(CC(=O)O)CC(=O)OC |
| InChIKey | NXCIJRYHLFBLML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methoxy-3,3-dimethyl-5-oxopentanoic acid (CAS 27151-66-2), with molecular formula C8H14O4 and molecular weight 174.0892 g/mol. IUPAC: 5-methoxy-3,3-dimethyl-5-oxopentanoic acid.