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Tetraethyl 1,1,2,2-ethanetetracarboxylate , CAS No.632-56-4
Basic Description
Synonyms
Tetraethyl 1,1,2,2-ethanetetracarboxylate | TETRAethyl-1,1,2,2-ETHANETETRACARBOXYLATE | Tetraethyl1,1,2,2-ethanetetracarboxylate | SCHEMBL2460611 | UNII-5G8A5ZPV2T | AI3-11223 | Tetraethyl ethane-1,1,2,2-tetracarboxylate | EINECS 211-180-7 | Tetrakis(etho
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Tetracarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Tetracarboxylic acids and derivatives
Alternative Parents
Fatty acid esters 1,3-dicarbonyl compounds Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Tetracarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - 1,3-dicarbonyl compound - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
488185679
IUPAC Name
tetraethyl ethane-1,1,2,2-tetracarboxylate
INCHI
InChI=1S/C14H22O8/c1-5-19-11(15)9(12(16)20-6-2)10(13(17)21-7-3)14(18)22-8-4/h9-10H,5-8H2,1-4H3
InChIKey
UQSBVZIXVVORQC-UHFFFAOYSA-N
Smiles
CCOC(=O)C(C(C(=O)OCC)C(=O)OCC)C(=O)OCC
Isomeric SMILES
CCOC(=O)C(C(C(=O)OCC)C(=O)OCC)C(=O)OCC
WGK Germany
3
PubChem CID
79090
Molecular Weight
318.32
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
318.320 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
13
Exact Mass
318.131 Da
Monoisotopic Mass
318.131 Da
Topological Polar Surface Area
105.000 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
330.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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