Cepacin A
5-[(1E)-3-hydroxy-4-oxododeca-1,6,7-trien-9,11-diynyl]oxolan-2-one
Also Known As: Cepacin A|2(5H)-Furanone, 5-(3-(3-(1,2-heptadiene-4,6-diynyl)oxiranyl)-3-hydroxy-1-propenyl)dihydro-|2(3H)-FURANONE, 4,5-DIHYDRO-5-(3-HYDROXY-4-OXODODECA-1,6,7-TRIEN-9,11-DIYNYL)-|4,5-Dihydro-5-(3-hydroxy-4-oxododeca-1,6,7-trien-9,11-diynyl)-2(3H)-furanone|5-[(1E)-3-hydroxy-4-oxododeca-1,6,7-trien-9,11-diynyl]oxolan-2-one
CAS: 91682-95-0
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.0892 g/mol |
| LogP | 0.9162 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0892 |
| Monoisotopic Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 559.5098 |
Chemical Identifiers
| CAS Number | 91682-95-0 |
|---|---|
| SMILES | C#CC#CC=C=CCC(=O)C(/C=C/C1CCC(=O)O1)O |
Product Overview
Cepacin A (CAS 91682-95-0), with molecular formula C16H14O4 and molecular weight 270.0892 g/mol. IUPAC: 5-[(1E)-3-hydroxy-4-oxododeca-1,6,7-trien-9,11-diynyl]oxolan-2-one.
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.
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