Silane, (heptadecafluorooctyl)trimethyl- , CAS No.52112-19-3

CAS: 52112-19-3 Cat. No.: S1002411 Molecular Weight: 492.250

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl(trimethyl)silane
• InChIKey: CSSFUEGQVWQFKG-UHFFFAOYSA-N
• INCHI: 1S/C11H9F17Si/c1-29(2,3)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h1-3H3
• Molecular Weight: 492.250

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic metalloid salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic metalloid salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic metalloid salts
• Alternative Parents: Organofluorides Hydrocarbon derivatives Alkylsilanes Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic metalloid salt - Hydrocarbon derivative - Organosilicon compound - Alkylsilane - Organofluoride - Organic metalloid moeity - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic metalloid salts. These are organic salt compounds containing a metalloid atom in its ionic form.
• 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: 492.250 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 7
• Exact Mass: 492.02 Da
• Monoisotopic Mass: 492.02 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 608.000
• 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

XLogP3