Cas no 5456-14-4 (4H-Pyran-3,5-dicarboxylicacid, 2,6-dimethyl-4-oxo-, 3,5-diethyl ester)
5456-14-4 structure
Product Name:4H-Pyran-3,5-dicarboxylicacid, 2,6-dimethyl-4-oxo-, 3,5-diethyl ester
CAS No:5456-14-4
MF:C13H16O6
MW:268.262544631958
CID:379075
PubChem ID:222209
Update Time:2025-04-19
4H-Pyran-3,5-dicarboxylicacid, 2,6-dimethyl-4-oxo-, 3,5-diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyran-3,5-dicarboxylicacid, 2,6-dimethyl-4-oxo-, 3,5-diethyl ester
- diethyl 2,6-dimethyl-4-oxopyran-3,5-dicarboxylate
- 2,6-Dimethyl-4-oxo-4H-pyran-3,5-dicarbonsaeure-diaethylester
- 2,6-Dimethyl-4-oxo-4H-pyran-3,5-dicarbonsaeure-diethylester
- 2,6-Dimethyl-4-oxo-4H-pyran-3,5-dicarboxylic acid diethyl ester
- 2,6-Dimethyl-4-pyron-3,5-dicarbon
- 3,5-diethoxy-carbonyl-2,6-dimethyl-4H-pyran-4-one
- AC1L5BGT
- AC1Q6461
- diethyl 2,6-dimethyl-4-oxo-4h-pyran-3,5-dicarboxylate
- DTXSID70278496
- CHEMBL1896997
- MLS000737884
- NSC-7745
- 2,6-dimethyl-3,5-dicarboethoxy-4-pyrone
- 4H-Pyran-3,5-dicarboxylic acid, 2,6-dimethyl-4-oxo-, diethyl ester
- 2,6-Dimethyl-4-oxo-4H-pyran-3,5-dicarboxylic acid, diethyl ester
- SMR000528074
- SCHEMBL1176806
- DIETHYL 2,6-DIMETHYL-4-OXO-PYRAN-3,5-DICARBOXYLATE
- 5456-14-4
- JISSLTOKQRHSMJ-UHFFFAOYSA-N
- NSC7745
-
- Inchi： 1S/C13H16O6/c1-5-17-12(15)9-7(3)19-8(4)10(11(9)14)13(16)18-6-2/h5-6H2,1-4H3
- InChI Key： JISSLTOKQRHSMJ-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(=O)OCC)C(C(C(=O)OCC)=C1C)=O
Computed Properties
- Exact Mass: 268.09468
- Monoisotopic Mass: 268.09468823g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 441
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- PSA: 78.9
- LogP: 1.61000
4H-Pyran-3,5-dicarboxylicacid, 2,6-dimethyl-4-oxo-, 3,5-diethyl ester Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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