2,2,5-Trimethylhex-4-enoic acid
2,2,5-trimethylhex-4-enoic acid
Also Known As: 2,2,5-trimethylhex-4-enoic acid|2,2,5-Trimethyl-4-hexenoic acid|2,2,5-Trimethyl-hex-4-enoic acid|2,2,5-Trimethyl-4-hexenoic acid #|J2.966.586I|F8884-3554|972-272-7
CAS: 2198-82-5
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.11504 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.11504 |
| Monoisotopic Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 2198-82-5 |
|---|---|
| SMILES | CC(=CCC(C)(C)C(=O)O)C |
| InChIKey | KZXMRHOGIHXVEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (7 patents)
Organic Building Blocks (4 patents)
Pharmaceutical Intermediates (13 patents)
Product Overview
2,2,5-Trimethylhex-4-enoic acid (CAS 2198-82-5), with molecular formula C9H16O2 and molecular weight 156.11504 g/mol. IUPAC: 2,2,5-trimethylhex-4-enoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
2,2,5-Trimethylhex-4-enoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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