Tetramethyl 1,2,3,4-Cyclobutanetetracarboxylate - ≥97%(GC) , CAS No.14495-41-1

CAS: 14495-41-1 Cat. No.: T162614 Molecular Weight: 288.25 PubChem CID: 266035

GRADE & PURITY ≥97%(GC)

Synonyms

1,3,4-Cyclobutanetetracarboxylic acid, tetramethyl ester, cis-1,2,trans-1,3,trans-1,4- | AB00997321-01 | starbld0034102 | Tetramethyl 1,2,3,4-cyclobutanetetracarboxylate | Tetramethyl 1,2,3,4-cyclobutanetetracarboxylate # | 1,2,3,4-tetramethyl cyclobutane

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1, 3, 4-Cyclobutanetetracarboxylic acid, tetramethyl ester, cis-1, 2, trans-1, 3, trans-1, 4- | AB00997321-01 | starbld0034102 | Tetramethyl 1, 2, 3, 4-cyclobutanetetracarboxylate | Tetramethyl 1, 2, 3, 4-cyclobutanetetracarboxylate # | 1, 2, 3, 4-tetramethyl cyclobutane

Specifications & Purity

≥97%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 504758218
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758218
• Canonical Smiles: COC(=O)C1C(C(C1C(=O)OC)C(=O)OC)C(=O)OC
• IUPAC Name: tetramethyl cyclobutane-1,2,3,4-tetracarboxylate
• InChIKey: NXMOMNBIDWYNOP-UHFFFAOYSA-N
• INCHI: 1S/C12H16O8/c1-17-9(13)5-6(10(14)18-2)8(12(16)20-4)7(5)11(15)19-3/h5-8H,1-4H3
• Isomeric SMILES: COC(=O)C1C(C(C1C(=O)OC)C(=O)OC)C(=O)OC
• PubChem CID: 266035
• Molecular Weight: 288.25
• Reaxy-Rn: 1826350

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• 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: Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 288.250 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 288.085 Da
• Monoisotopic Mass: 288.085 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 341.000
• 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