3,5,5-Trimethylhexyl hydrogen maleate
4-oxo-4-(3,5,5-trimethylhexoxy)but-2-enoic acid
Also Known As: 3,5,5-Trimethylhexyl hydrogen maleate|EINECS 246-244-3|4-oxo-4-(3,5,5-trimethylhexoxy)but-2-enoic acid|4-oxo-4-[(3,5,5-trimethylhexyl)oxy]but-2-enoic acid|2-Butenedioic acid(2Z)-, mono(3,5,5-trimethylhexyl) ester (9CI)
| Molecular Formula | C13H22O4 |
|---|---|
| Molecular Weight | 242.15181 g/mol |
| LogP | 2.63 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.15181 |
| Heavy Atoms | 17 |
| Complexity | 286.3 |
Chemical Identifiers
| CAS Number | 24429-25-2 |
|---|---|
| SMILES | CC(CCOC(=O)C=CC(=O)O)CC(C)(C)C |
Product Overview
3,5,5-Trimethylhexyl hydrogen maleate (CAS 24429-25-2), with molecular formula C13H22O4 and molecular weight 242.15181 g/mol. IUPAC: 4-oxo-4-(3,5,5-trimethylhexoxy)but-2-enoic acid.
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