tributyl(5-methylfuran-2-yl)stannane , CAS No.118486-95-6

CAS: 118486-95-6 Cat. No.: T669707 Molecular Weight: 371.14 PubChem CID: 14024671

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CCCC[Sn](CCCC)(CCCC)C1OC(C)=CC=1
• IUPAC Name: tributyl-(5-methylfuran-2-yl)stannane
• InChIKey: OTMIHZHASCPXNT-UHFFFAOYSA-N
• INCHI: 1S/C5H5O.3C4H9.Sn/c1-5-3-2-4-6-5;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3
• Isomeric SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC=C(O1)C
• PubChem CID: 14024671
• Molecular Weight: 371.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Metal aryls

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Metal aryls
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Metal aryls
• Alternative Parents: Heteroaromatic compounds Furans Trialkyltins Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Metal aryl - Heteroaromatic compound - Furan - Trialkyltin - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organotin compound - Organooxygen compound - Organic post-transition metal moeity - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as metal aryls. These are organometallic compounds hat containing a metal atom substituted by on or more aryl groups.
• 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: 371.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 372.148 Da
• Monoisotopic Mass: 372.148 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 208.000
• 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