2-(2,2-dimethyl-3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - ≥97% , CAS No.1215867-50-7

CAS: 1215867-50-7 Cat. No.: T627469 Peso molecular: 238.13 PubChem CID: 58547516

GRADE & PURITY ≥97%

Synonyms

1215867-50-7 | 2-(2,2-dimethyl-3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 2-(3,6-dihydro-2,2-dimethyl-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 2-(6,6-dimethyl-2,5-dihydropyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxa

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1215867-50-7 | 2-(2, 2-dimethyl-3, 6-dihydro-2H-pyran-4-yl)-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane | 2-(3, 6-dihydro-2, 2-dimethyl-2H-pyran-4-yl)-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane | 2-(6, 6-dimethyl-2, 5-dihydropyran-4-yl)-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxa

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CCOC(C2)(C)C
• IUPAC Name: 2-(6,6-dimethyl-2,5-dihydropyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• InChIKey: CCGVKRLBJQCNMK-UHFFFAOYSA-N
• INCHI: 1S/C13H23BO3/c1-11(2)9-10(7-8-15-11)14-16-12(3,4)13(5,6)17-14/h7H,8-9H2,1-6H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CCOC(C2)(C)C
• PubChem CID: 58547516
• Peso molecular: 238.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrans
• Alternative Parents: Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Dialkyl ethers Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyran - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrans. These are compounds containing a pyran ring, which is a six-member heterocyclic, non-aromatic ring with five carbon atoms, one oxygen atom and two ring double bonds.
• 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: 238.130 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 238.174 Da
• Monoisotopic Mass: 238.174 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 329.000
• 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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