Dipentyl but-2-ynedioate
dipentyl but-2-ynedioate
Also Known As: dipentyl but-2-ynedioate|1,4-dipentyl but-2-ynedioate|2-Butynedioic acid dipentyl ester|but-2-ynedioic acid dipentyl ester|Acetylenedicarboxylic acid dipentyl ester
CAS: 61644-48-2
| Molecular Formula | C14H22O4 |
|---|---|
| Molecular Weight | 254.15181 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 254.15181 |
| Monoisotopic Mass | 254.15181 |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 61644-48-2 |
|---|---|
| SMILES | CCCCCOC(=O)C#CC(=O)OCCCCC |
| InChIKey | OTBAGALLPLIXRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (2 patents)
Organic Building Blocks (2 patents)
Product Overview
Dipentyl but-2-ynedioate (CAS 61644-48-2), with molecular formula C14H22O4 and molecular weight 254.15181 g/mol. IUPAC: dipentyl but-2-ynedioate.
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 →
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