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4-Tributylstannyl-5H-furan-2-one - Reagent Grade, high purity , CAS No.145439-09-4
Basic Description
Synonyms
4-tributylstannyl-5H-furan-2-one | 3-tributylstannyl-2H-furan-5-one | DTXSID10448237 | VFA43909 | MFCD01319088 | 4-(tributylstannyl)furan-2(5H)-one | SCHEMBL4063910 | 4-Tributylstannyl-5H-furan-2-one, AldrichCPR | SFOGKNHRVGTLCF-UHFFFAOYSA-N | SY044809 |
Specifications & Purity
Reagent grade
Legal Information
Product of Synthonix
Grade
Reagent Grade
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dihydrofurans
Subclass
Furanones
Intermediate Tree Nodes
Not available
Direct Parent
Butenolides
Alternative Parents
Enoate esters Trialkyltins Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
2-furanone - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Lactone - Trialkyltin - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organic oxide - Organotin compound - Organooxygen compound - Organometallic compound - Organic post-transition metal moeity - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon 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.
Names and Identifiers
IUPAC Name
3-tributylstannyl-2H-furan-5-one
INCHI
InChI=1S/C4H3O2.3C4H9.Sn/c5-4-2-1-3-6-4;3*1-3-4-2;/h2H,3H2;3*1,3-4H2,2H3;
InChIKey
SFOGKNHRVGTLCF-UHFFFAOYSA-N
Smiles
CCCC[Sn](CCCC)(CCCC)C1=CC(=O)OC1
Isomeric SMILES
CCCC[Sn](CCCC)(CCCC)C1=CC(=O)OC1
PubChem CID
10915702
Molecular Weight
373.11
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
373.100 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
10
Exact Mass
374.127 Da
Monoisotopic Mass
374.127 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
288.000
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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