TETRAETHYL 2-(2-THIENYL)PROPANE-1,1,3,3-TETRACARBOXYLATE

: Iupac Name：tetraethyl 2-thiophen-2-ylpropane-1,1,3,3-tetracarboxylate; CAS No.: 680215-57-0; Molecular Weight：414.47; Modify Date.: 2023-02-24 20:46

1. Names and Identifiers

: 1.1 Name; TETRAETHYL 2-(2-THIENYL)PROPANE-1,1,3,3-TETRACARBOXYLATE; 1.2 Synonyms; 1,1,3,3-Propanetetracarboxylic acid, 2-(2-thienyl)-, tetraethyl ester 1,1,3,3-tetraethyl 2-(thiophen-2-yl)propane-1,1,3,3-tetracarboxylate 2,2,4,4-Pentanetetracarboxylic acid, 3-(2-thienyl)-, 1,2,4,4-tetraethyl ester MFCD02090179 Tetraethyl 2-(2-thienyl)-1,1,3,3-propanetetracarboxylate; View all

1.6 Inchi: InChI=1S/C19H26O8S/c1-5-24-16(20)14(17(21)25-6-2)13(12-10-9-11-28-12)15(18(22)26-7-3)19(23)27-8-4/h9-11,13-15H,5-8H2,1-4H3

2. Properties

3. Computational chemical data

Molecular Weight: 414.47g/mol
Molecular Formula: C₁₉H₂₆O₈S
Compound Is Canonicalized: True
XLogP3-AA: 3
Exact Mass: 414.13483896
Monoisotopic Mass: 414.13483896
Complexity: 474
Rotatable Bond Count: 15
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 9
Topological Polar Surface Area: 133
Heavy Atom Count: 28
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceB4PABAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAABgAAAGgQAAAAADQCk0AKyCYAABAiMACDSCAADAIAgCBBIiBkAAIgIIDaoERCCAAAloAAoiAeI7miOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==