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(E)-1-Pentene-1,2-diboronic acid bis(pinacol) ester

(E)-1-Pentene-1,2-diboronic acid bis(pinacol) ester

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Molecular Formula:

C17H32B2O4

Molecular Weight:

322.06

CAS Number:

307531-75-5

Catalog Number:

307531-75-5

Product Information

Molecular Formula:

C17H32B2O4

Molecular Weight:

322.06

Description

(E)-1-Pentene-1,2-diboronic acid bis(pinacol) ester, a specialized molecule, finds its principal application in the fabrication of numerous medicinal compounds.

Synonyms

1-[cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)] pentene, 2,2-[(1Z)-1-Propyl-1,2-ethenediyl]bis[4,4,5,5-tetramethyl-1,3,2-dioxaborolane]

IUPAC Name

4,4,5,5-tetramethyl-2-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C=C(B2OC(C(O2)(C)C)(C)C)CCC

InChI

InChI=1S/C17H32B2O4/c1-10-11-13(19-22-16(6,7)17(8,9)23-19)12-18-20-14(2,3)15(4,5)21-18/h12H,10-11H2,1-9H3/b13-12+

InChI Key

MXQDNQSRLNMUOP-OUKQBFOZSA-N

Boiling Point

301-303 °C (lit.)

Flash Point

169.0 °F - closed cup

Density

0.954 g/mL at 25 °C (lit.)

Refractive Index

n20/D 1.455 (lit.)

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

322.2486698 g/mol

Monoisotopic Mass

322.2486698 g/mol

Topological Polar Surface Area

36.9Å²

Heavy Atom Count

Formal Charge

Complexity

451

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)

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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(E)-1-Pentene-1,2-diboronic acid bis(pinacol) ester

Product Information

Computed Properties

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