(3S,4S)-3,4-Bis(((1,1-dimethylethyl)dimethylsilyl)oxy)pyrrolidine - ≥95% , CAS No.138228-47-4

CAS: 138228-47-4 Cat. No.: S1308419 Molecular Weight: 331.64

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)(C)[Si](C)(C)O[C@H]1CNC[C@@H]1O[Si](C)(C)C(C)(C)C
• IUPAC Name: tert-butyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]oxy-dimethylsilane
• InChIKey: KGWDAGKEVSFIBY-KBPBESRZSA-N
• INCHI: 1S/C16H37NO2Si2/c1-15(2,3)20(7,8)18-13-11-17-12-14(13)19-21(9,10)16(4,5)6/h13-14,17H,11-12H2,1-10H3/t13-,14-/m0/s1
• Molecular Weight: 331.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidines
• Alternative Parents: Trialkylheterosilanes Silyl ethers Organic metalloid salts Dialkylamines Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Trialkylheterosilane - Silyl ether - Secondary aliphatic amine - Organoheterosilane - Secondary amine - Azacycle - Organic metalloid salt - Amine - Organosilicon compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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: 331.640 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 331.236 Da
• Monoisotopic Mass: 331.236 Da
• Topological Polar Surface Area: 30.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 322.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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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