(R)-2-(Diphenyl((triethylsilyl)oxy)methyl)pyrrolidine , CAS No.1100289-57-3

CAS: 1100289-57-3 Cat. No.: R1288623 Molecular Weight: 367.6 PubChem CID: 25177950

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CC[Si](CC)(CC)OC(C1CCCN1)(C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: [diphenyl-[(2R)-pyrrolidin-2-yl]methoxy]-triethylsilane
• InChIKey: IBZUYVBRWOKYBZ-JOCHJYFZSA-N
• INCHI: 1S/C23H33NOSi/c1-4-26(5-2,6-3)25-23(22-18-13-19-24-22,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-12,14-17,22,24H,4-6,13,18-19H2,1-3H3/t22-/m1/s1
• Isomeric SMILES: CC[Si](CC)(CC)OC([C@H]1CCCN1)(C2=CC=CC=C2)C3=CC=CC=C3
• PubChem CID: 25177950
• Molecular Weight: 367.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Aralkylamines Trialkylheterosilanes Pyrrolidines Silyl ethers Organic metalloid salts Dialkylamines Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Aralkylamine - Trialkylheterosilane - Pyrrolidine - Silyl ether - Secondary aliphatic amine - Organoheterosilane - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Secondary amine - Amine - Organosilicon compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl 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: 367.600 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 367.233 Da
• Monoisotopic Mass: 367.233 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 384.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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