1,4-Bis(trimethoxysilylmethyl)benzene , CAS No.193358-40-6

CAS: 193358-40-6 Cat. No.: B1226141 Molecular Weight: 346.526 PubChem CID: 15823383

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CO[Si](CC1=CC=C(C=C1)C[Si](OC)(OC)OC)(OC)OC
• IUPAC Name: trimethoxy-[[4-(trimethoxysilylmethyl)phenyl]methyl]silane
• InChIKey: GKMJIVDFRBQRTH-UHFFFAOYSA-N
• INCHI: 1S/C14H26O6Si2/c1-15-21(16-2,17-3)11-13-7-9-14(10-8-13)12-22(18-4,19-5)20-6/h7-10H,11-12H2,1-6H3
• Isomeric SMILES: CO[Si](CC1=CC=C(C=C1)C[Si](OC)(OC)OC)(OC)OC
• PubChem CID: 15823383
• Molecular Weight: 346.526

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Alkoxysilanes
• Direct Parent: Trialkoxysilanes
• Alternative Parents: Benzene and substituted derivatives Silyl ethers Organoheterosilanes Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trialkoxysilane - Benzenoid - Monocyclic benzene moiety - Silyl ether - Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Boil Point(°C): 124-5
• Melt Point(°C): <0°C
• Molecular Weight: 346.520 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 346.127 Da
• Monoisotopic Mass: 346.127 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 255.000
• 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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