Tributyl(2,3-dihydrofuran-5-yl)stannane - ≥97% , CAS No.125769-77-9

CAS: 125769-77-9 Cat. No.: T1039382 Molecular Weight: 359.13 EC Number: 682-759-3 PubChem CID: 14323397

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCCC[Sn](CCCC)(CCCC)C1=CCCO1
• IUPAC Name: tributyl(2,3-dihydrofuran-5-yl)stannane
• InChIKey: QTYBKWIPVOTUQI-UHFFFAOYSA-N
• INCHI: 1S/C4H5O.3C4H9.Sn/c1-2-4-5-3-1;3*1-3-4-2;/h1H,2,4H2;3*1,3-4H2,2H3
• Isomeric SMILES: CCCC[Sn](CCCC)(CCCC)C1=CCCO1
• PubChem CID: 14323397
• Molecular Weight: 359.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dihydrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Dihydrofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dihydrofurans
• Alternative Parents: Trialkyltins Ketene acetals Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Dihydrofuran - Trialkyltin - Ketene acetal or derivatives - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organotin compound - Organooxygen compound - Organometallic compound - Organic post-transition metal moeity - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dihydrofurans. These are compounds containing a dihydrofuran moiety, which is a furan derivative with only one double bond.
• 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: 359.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 360.148 Da
• Monoisotopic Mass: 360.148 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 226.000
• 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