Sodium methylsilanetriolate , CAS No.16589-43-8

CAS: 16589-43-8 Cat. No.: S973209 Molecular Weight: 160.086 EC Number: 240-648-3 PubChem CID: 14009234

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: C[Si]([O-])([O-])[O-].[Na+].[Na+].[Na+]
• IUPAC Name: trisodium;methyl(trioxido)silane
• InChIKey: TYWKEXJQDDWAAM-UHFFFAOYSA-N
• INCHI: 1S/CH3O3Si.3Na/c1-5(2,3)4;;;/h1H3;;;/q-3;3*+1
• Isomeric SMILES: C[Si]([O-])([O-])[O-].[Na+].[Na+].[Na+]
• PubChem CID: 14009234
• Molecular Weight: 160.086

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: Organoheterosilanes
• Alternative Parents: Organic metalloid salts Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organoheterosilane - Organic alkali metal salt - Organic metalloid salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic zwitterion - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organoheterosilanes. These are organosilicon compounds where the tetravalent silicon atom is linked to one or more heteroatoms.
• 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

• Molecular Weight: 160.090 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 159.954 Da
• Monoisotopic Mass: 159.954 Da
• Topological Polar Surface Area: 69.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 28.400
• 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: 4

XLogP3

References

1. Zou Jing, Wang Yongzhen, Yu Xiang, Liu Rulin, Fan Weiqiang, Cheng Jing, Cai Weiyi.  (2024)  Skin-Inspired Zero Carbon Heat-Moisture Management Based on Shape Memory Smart Fabric.  Advanced Fiber Materials,      [PMID:] [10.1007/s42765-024-00496-4]