Silicic acid (H4SiO4), tetrakis(2-ethoxyethyl) ester , CAS No.18407-94-8

CAS: 18407-94-8 Cat. No.: S1029618 Molecular Weight: 384.541 PubChem CID: 87629

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CCOCCO[Si](OCCOCC)(OCCOCC)OCCOCC
• IUPAC Name: tetrakis(2-ethoxyethyl) silicate
• InChIKey: OTTUQUOINFJTBJ-UHFFFAOYSA-N
• INCHI: 1S/C16H36O8Si/c1-5-17-9-13-21-25(22-14-10-18-6-2,23-15-11-19-7-3)24-16-12-20-8-4/h5-16H2,1-4H3
• Isomeric SMILES: CCOCCO[Si](OCCOCC)(OCCOCC)OCCOCC
• PubChem CID: 87629
• Molecular Weight: 384.541

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkoxysilanes
• Alternative Parents: Organic metalloid salts Dialkyl ethers Organic oxoanionic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkoxysilane - Organic silicate - Organic metalloid salt - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alkoxysilanes. These are organosilicon compounds with the general formula RO[Si](OR')(R'')(R''') (R,R' = organyl; R'',R''' = any atom).
• 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): 200°
• Molecular Weight: 384.540 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 20
• Exact Mass: 384.218 Da
• Monoisotopic Mass: 384.218 Da
• Topological Polar Surface Area: 73.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 217.000
• 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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