3-(tert-Butyldimethylsilyloxy)glutaric Acid - ≥95% , CAS No.113794-48-2

CAS: 113794-48-2 Cat. No.: T1326809 Peso molecular: 262.37 PubChem CID: 18926944

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)[Si](C)(C)OC(CC(=O)O)CC(=O)O
• IUPAC Name: 3-[tert-butyl(dimethyl)silyl]oxypentanedioic acid
• InChIKey: OHPIOMMEWYTXCL-UHFFFAOYSA-N
• INCHI: 1S/C11H22O5Si/c1-11(2,3)17(4,5)16-8(6-9(12)13)7-10(14)15/h8H,6-7H2,1-5H3,(H,12,13)(H,14,15)
• Isómeros SMILES: CC(C)(C)[Si](C)(C)OC(CC(=O)O)CC(=O)O
• PubChem CID: 18926944
• Peso molecular: 262.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Fatty acids and conjugates Trialkylheterosilanes Silyl ethers Organic metalloid salts Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid - Dicarboxylic acid or derivatives - Trialkylheterosilane - Silyl ether - Organoheterosilane - Organic metalloid salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosilicon compound - Organooxygen compound - Organic metalloid moeity - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid 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

Propiedades químicas y físicas

• Peso molecular: 262.370 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 262.124 Da
• Monoisotopic Mass: 262.124 Da
• Topological Polar Surface Area: 83.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 277.000
• 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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