(Trimethoxysilyl)methyl prop-2-enoate , CAS No.21134-38-3

CAS: 21134-38-3 Cat. No.: T1044360 Peso molecular: 206.269 Número EC: 700-313-9 PubChem CID: 14475611

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: CO[Si](COC(=O)C=C)(OC)OC
• IUPAC Name: trimethoxysilylmethyl prop-2-enoate
• InChIKey: JPPHEZSCZWYTOP-UHFFFAOYSA-N
• INCHI: 1S/C7H14O5Si/c1-5-7(8)12-6-13(9-2,10-3)11-4/h5H,1,6H2,2-4H3
• Isómeros SMILES: CO[Si](COC(=O)C=C)(OC)OC
• PubChem CID: 14475611
• Peso molecular: 206.269

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Clase Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Alkoxysilanes
          • Level6 Trialkoxysilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Clase: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Alkoxysilanes
• Direct Parent: Trialkoxysilanes
• Alternative Parents: Acrylic acid esters Enoate esters Silyl ethers Organoheterosilanes Organic metalloid salts Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkoxysilane - Acrylic acid ester - Acrylic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Silyl ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterosilane - Organic metalloid salt - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trialkoxysilanes. These are organosilicon compounds with the general formula RO[Si](R')(OR'')OR''' (R-R''' = aliphatic organyl group).
• 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): 42-6/0.15
• Peso molecular: 206.270 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 206.061 Da
• Monoisotopic Mass: 206.061 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 169.000
• 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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