3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-one - ≥95% , CAS No.302577-72-6

CAS: 302577-72-6 Cat. No.: T1357107 Fórmula: C₁₂H₂₁BO₃ Peso molecular: 224.11 PubChem CID: 11424612

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: B1(OC(C(O1)(C)C)(C)C)C2CCCC(=O)C2
• IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-one
• InChIKey: RDLPCDXZYPJXPO-UHFFFAOYSA-N
• INCHI: 1S/C12H21BO3/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h9H,5-8H2,1-4H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2CCCC(=O)C2
• PubChem CID: 11424612
• Peso molecular: 224.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Boronic acid derivatives
      • Subclass Boronic acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Boronic acid derivatives
• Subclass: Boronic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Boronic acid esters
• Alternative Parents: Dioxaborolanes Cyclic ketones Oxacyclic compounds Organic metalloid salts Organic oxides Monoalkylboranes Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Boronic acid ester - 1,3,2-dioxaborolane - Ketone - Cyclic ketone - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aldehyde - Monoalkylborane - Carbonyl group - Organic oxygen compound - Organic oxide - Alkylborane - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as boronic acid esters. These are compounds comprising the boronic acid ester functional group RN(X)OR' (R,R'=alkyl, aryl; X= any O, N, Hal residue).
• 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: 224.110 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 224.158 Da
• Monoisotopic Mass: 224.158 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 283.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 302577-72-6, the molecular formula is C12H21BO3, and the molecular weight is 224.11 g/mol. InChIKey RDLPCDXZYPJXPO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.