HEXYLBORONIC ACID PINACOL ESTER
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
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
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
5
Exact Mass
212.1947602 g/mol
Monoisotopic Mass
212.1947602 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
186
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
