Arsenosiloxane I , CAS No.18891-54-8

CAS: 18891-54-8 Cat. No.: A1260406 Molecular Weight: 792.7

Storage

Room temperature

Shipped In

Normal

Specifications

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)[Si]2(O[As]3O[Si](O[As](O2)O[Si](O3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8
• IUPAC Name: 3,3,7,7,10,10-hexakis-phenyl-2,4,6,8,9,11-hexaoxa-1,5-diarsa-3,7,10-trisilabicyclo[3.3.3]undecane
• InChIKey: IISNDSYSGXYCRT-UHFFFAOYSA-N
• INCHI: 1S/C36H30As2O6Si3/c1-7-19-31(20-8-1)45(32-21-9-2-10-22-32)39-37-41-46(33-23-11-3-12-24-33,34-25-13-4-14-26-34)42-38(40-45)44-47(43-37,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
• Molecular Weight: 792.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Trivalent organic arsenic compounds Oxacyclic compounds Organoheterosilanes Organic metalloid salts Organic oxoanionic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Monocyclic benzene moiety - Trivalent organic arsenic compound - Organic arsenite - Organoheterosilane - Oxacycle - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organosilicon compound - Organic metalloid moeity - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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: 792.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 791.978 Da
• Monoisotopic Mass: 791.978 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 790.000
• 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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