2,2-Dibutyl-[1,3,2]dioxastannolane - ≥96% , CAS No.3590-59-8

CAS: 3590-59-8 Cat. No.: D468142 Molecular Weight: 292.99 EC Number: 222-732-1

GRADE & PURITY ≥96%

Synonyms

2,2-Dibutyl-[1,3,2]dioxastannolane | EINECS 222-732-1 | SCHEMBL830667 | 2,2-Dibutyl-1,3,2-dioxastannolane | 1-di-n-butyl-1-stanna-2,5-dioxacyclopentane | STWBEJNHFFEKHC-UHFFFAOYSA-N | DTXSID30189473 | 1,1-dibutylstanna-2,5-dioxacyclopentane | 2,2-Dibutyl-

Storage

Room temperature

Specifications

Synonyms

2, 2-Dibutyl-[1, 3, 2]dioxastannolane | EINECS 222-732-1 | SCHEMBL830667 | 2, 2-Dibutyl-1, 3, 2-dioxastannolane | 1-di-n-butyl-1-stanna-2, 5-dioxacyclopentane | STWBEJNHFFEKHC-UHFFFAOYSA-N | DTXSID30189473 | 1, 1-dibutylstanna-2, 5-dioxacyclopentane | 2, 2-Dibutyl-

Specifications & Purity

≥96%

Storage

Room temperature

Purity

≥96%

Names and Identifiers

• Canonical Smiles: CCCC[Sn]1(OCCO1)CCCC
• IUPAC Name: 2,2-dibutyl-1,3,2-dioxastannolane
• InChIKey: STWBEJNHFFEKHC-UHFFFAOYSA-N
• INCHI: 1S/2C4H9.C2H4O2.Sn/c2*1-3-4-2;3-1-2-4;/h2*1,3-4H2,2H3;1-2H2;/q;;-2;+2
• Isomeric SMILES: CCCC[Sn]1(OCCO1)CCCC
• WGK Germany: 3
• Molecular Weight: 292.99
• Reaxy-Rn: 970316
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=970316&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organo-post-transition metal compounds
      • Subclass Organotin compounds

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organo-post-transition metal compounds
• Subclass: Organotin compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Organotin compounds
• Alternative Parents: Organic oxides Hydrocarbon derivatives Alkoxides Organic cations
• Molecular Framework: Not available
• Substituents: Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organotin compound - Alkoxide - Organooxygen compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organotin compounds. These are compounds containing bond between a carbon atom and a tin 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

• Molecular Weight: 292.990 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 294.064 Da
• Monoisotopic Mass: 294.064 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 123.000
• 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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