4-((3-(Trimethoxysilyl)propoxy)methyl)-1,3-dioxolan-2-one , CAS No.42345-73-3

CAS: 42345-73-3 Cat. No.: T941208 Peso molecular: 280.350 Número EC: EINECS255-763-4

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: CO[Si](CCCOCC1COC(=O)O1)(OC)OC
• IUPAC Name: 4-(3-trimethoxysilylpropoxymethyl)-1,3-dioxolan-2-one
• InChIKey: MICBKZBCSXKCMF-UHFFFAOYSA-N
• INCHI: 1S/C10H20O7Si/c1-12-18(13-2,14-3)6-4-5-15-7-9-8-16-10(11)17-9/h9H,4-8H2,1-3H3
• Peso molecular: 280.350

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: Carbonic acid diesters 1,3-dioxolanes Silyl ethers Oxacyclic compounds Organoheterosilanes Organic metalloid salts Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Trialkoxysilane - Carbonic acid diester - Meta-dioxolane - Carbonic acid derivative - Silyl ether - Organoheterosilane - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organic metalloid salt - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aliphatic heteromonocyclic 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

• Peso molecular: 280.350 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 280.098 Da
• Monoisotopic Mass: 280.098 Da
• Topological Polar Surface Area: 72.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 248.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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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