Silanediol, 1-ethenyl-1-methyl-, 1,1-diacetate , CAS No.2944-70-9

CAS: 2944-70-9 Cat. No.: S1049767 Peso molecular: 188.254 Número EC: 220-954-3 PubChem CID: 76271

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: CC(=O)O[Si](C)(C=C)OC(=O)C
• IUPAC Name: (acetyloxy-ethenyl-methylsilyl) acetate
• InChIKey: IDXCKOANSQIPGX-UHFFFAOYSA-N
• INCHI: 1S/C7H12O4Si/c1-5-12(4,10-6(2)8)11-7(3)9/h5H,1H2,2-4H3
• Isómeros SMILES: CC(=O)O[Si](C)(C=C)OC(=O)C
• PubChem CID: 76271
• Peso molecular: 188.254

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Alkoxysilanes Acetate salts Organoheterosilanes Organic metalloid salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Acetate salt - Alkoxysilane - Carboxylic acid salt - Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosilicon compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 56°/9mm
• Peso molecular: 188.250 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 188.05 Da
• Monoisotopic Mass: 188.05 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 195.000
• 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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