(E)-1-Octenylboronic Acid

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Molecular Formula:

C8H17O2B

Molecular Weight:

156.03

CAS Number:

42599-16-6

Catalog Number:

42599-16-6

Product Information

Molecular Formula:

C8H17O2B

Molecular Weight:

156.03

Description

Reactant for: Chiral palladacycle-catalyzed asymmetric ring-opening reaction; Enantioselective conjugate addition catalyzed by acyltartaric acids; Copper-mediated oxidative cross-coupling reactions; Diastereoselective domino Heck-Suzuki reactions.

Synonyms

[(E)-oct-1-enyl]boronic acid; [(E)-oct-1-enyl]boronic acid

IUPAC Name

[(E)-oct-1-enyl]boronic acid

Canonical SMILES

B(C=CCCCCCC)(O)O

InChI

InChI=1S/C8H17BO2/c1-2-3-4-5-6-7-8-9(10)11/h7-8,10-11H,2-6H2,1H3/b8-7+

InChI Key

RBTAJLKAPFBZDQ-BQYQJAHWSA-N

Boiling Point

263.2 °C at 760 mmHg

Melting Point

100-104 °C (lit.)

Flash Point

Not applicable

Purity

≥ 95 %

Density

0.911 g/cm³

Solubility

Insoluble in water. Soluble in organic solvents.

Appearance

White solid

LogP

1.52500

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

156.1321599 g/mol

Monoisotopic Mass

156.1321599 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

102

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-Octenylboronic Acid

Product Information

Computed Properties

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