2D Chemical StructureDatabase ID 12650950
No renderable structure data available
SMILES
O(C(C)(C)C)C(CC(C(C)(C)C)=O)=OStructure data verified · Database ID 12650950
Chemical Intermediate
Pentanoic acid, 4,4-dimethyl-3-oxo-, 1,1-dimethylethyl ester
CAS 61540-31-6Product ID 754909
| Intermediates | Pentanoic acid, 4,4-dimethyl-3-oxo-, 1,1-dimethylethyl ester |
|---|---|
| IUPAC Name | — |
| CAS Number | 61540-31-6 |
| Database ID | 12650950 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
Pentanoic acid, 4,4-dimethyl-3-oxo-, 1,1-dimethylethyl ester
Pentanoic acid, 4,4-dimethyl-3-oxo-, 1,1-dimethylethyl ester (CAS 61540-31-6) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number61540-31-6
Database ID12650950
Molecular Formula—
Updated2026-10-16
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 12650950
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- O(C(C)(C)C)C(CC(C(C)(C)C)=O)=O
- InChI
- —
Safety Notice
Safety & Notes
For professional research and industrial use only. Review the supplier safety data sheet before handling.
PubChem References
Public References
These sources are listed in the compound's public database record.
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CAS 61540-31-6Pentanoic acid, 4,4-dimethyl-3-oxo-, 1,1-dimethylethyl ester
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