Methyl tetrahydro-2,5-dimethoxyfuroate - ≥95% , CAS No.39658-49-6

CAS: 39658-49-6 Cat. No.: M670110 Formula: C₈H₁₄O₅ Peso molecolare: 190.19 Numero EC: 254-568-1 PubChem CID: 13152840

GRADE & PURITY ≥95%

Synonyms

METHYLTETRAHYDRO-2,5-DIMETHOXY-2-FURANCARBOXYLATE | methyl 2,5-dimethoxyoxolane-2-carboxylate | methyl 2,5-dimethoxytetrahydrofuran-2-carboxylate | Methyl tetrahydro-2,5-dimethoxyfuroate | EINECS 254-568-1 | SCHEMBL2335332 | DTXSID60960272 | METHYL TETRAH

Storage

Room temperature

Specifications

Sinonimi

METHYLTETRAHYDRO-2,5-DIMETHOXY-2-FURANCARBOXYLATE | methyl 2,5-dimethoxyoxolane-2-carboxylate | methyl 2,5-dimethoxytetrahydrofuran-2-carboxylate | Methyl tetrahydro-2,5-dimethoxyfuroate | EINECS 254-568-1 | SCHEMBL2335332 | DTXSID60960272 | METHYL TETRAH

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Proprietà del prodotto

• ALogP: 0.3

Nomi e identificatori

• Sorrisi canonici: COC1CCC(O1)(C(=O)OC)OC
• IUPAC Name: methyl 2,5-dimethoxyoxolane-2-carboxylate
• InChIKey: YUDUYCUJCQMCCJ-UHFFFAOYSA-N
• INCHI: 1S/C8H14O5/c1-10-6-4-5-8(12-3,13-6)7(9)11-2/h6H,4-5H2,1-3H3
• Isomeri SMILES: COC1CCC(O1)(C(=O)OC)OC
• CAS alternativo: 39658-49-6
• PubChem CID: 13152840
• Peso molecolare: 190.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: Oxolanes Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Ketal - Methyl ester - Oxolane - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 190.190 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 190.084 Da
• Monoisotopic Mass: 190.084 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 193.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1