HEXYLBORONIC ACID PINACOL ESTER

Inquiry

Molecular Formula:

C6H13(C6H12BO2)(CH3)4

Molecular Weight:

212.14

CAS Number:

86308-26-1

Catalog Number:

86308-26-1

Product Information

Molecular Formula:

C6H13(C6H12BO2)(CH3)4

Molecular Weight:

212.14

Description

HEXYLBORONIC ACID PINACOL ESTER is a versatile reagent used in the field of biomedicine. It finds application in the synthesis of pharmaceuticals and drug discovery by modifying and functionalizing specific chemical structures. Its use in medicinal chemistry helps in the development of potential drugs for the treatment of various diseases, including cancer, neurological disorders, and cardiovascular conditions.

Synonyms

2-Hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

IUPAC Name

2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)CCCCCC

InChI

InChI=1S/C12H25BO2/c1-6-7-8-9-10-13-14-11(2,3)12(4,5)15-13/h6-10H2,1-5H3

InChI Key

LDPMCSWZEGKWLC-UHFFFAOYSA-N

Flash Point

183.2 °F

Purity

97%

Density

1.167

Refractive Index

n20/D 1.426

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

212.1947602 g/mol

Monoisotopic Mass

212.1947602 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

186

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

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Molecular Weight *

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

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HEXYLBORONIC ACID PINACOL ESTER

Product Information

Computed Properties

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