4-Methyl-3-pentenylboronic acid pinacol ester
Product Information
Molecular Formula
C12H23BO2
Molecular Weight
210.12
Description
4-Methyl-3-pentenylboronic acid pinacol ester is a quintessential compound extensively employed in the expansive biomedical domain that assumes a pivotal role as an indispensable intermediary for multifarious pharmaceutical synthesis endeavors. This remarkable entity finds application in the formulation of antiviral therapeutics, antifungal agents, and anticancer remedies, profoundly contributing to the amelioration of viral infections, fungal maladies, and neoplastic afflictions.
Synonyms
2-(4-Methyl-3-pentenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-Methylpent-2-ene-5-boronic acid pinacol ester,4,4,5,5-Tetramethyl-2-(4-methyl-3-pentenyl)-1,3,2-dioxaborolane
IUPAC Name
4,4,5,5-tetramethyl-2-(4-methylpent-3-enyl)-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)CCC=C(C)C
InChI
InChI=1S/C12H23BO2/c1-10(2)8-7-9-13-14-11(3,4)12(5,6)15-13/h8H,7,9H2,1-6H3
InChI Key
WHSCXARPDWZZRD-UHFFFAOYSA-N
Boiling Point
219-223 °C/760 mmHg
Flash Point
185 °F
Purity
97%
Density
0.881 g/mL at 25 °C
Refractive Index
n20/D 1.441
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
210.1791101 g/mol
Monoisotopic Mass
210.1791101 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
236
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
