trans-1-Hepten-1-ylboronic acid pinacol ester

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Product Information

Molecular Formula
C13H25BO2
Molecular Weight
224.15
Description
Substrate used in a palladium-catalyzed cross-coupling with olefins providing substituted 1,3-dienes.
Synonyms
E-2-(1-Heptenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, trans-1-Heptenylboronic acid pinacol ester
IUPAC Name
2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C=CCCCCC
InChI
InChI=1S/C13H25BO2/c1-6-7-8-9-10-11-14-15-12(2,3)13(4,5)16-14/h10-11H,6-9H2,1-5H3/b11-10+
InChI Key
XHEDFAYNMNXKGM-ZHACJKMWSA-N
Boiling Point
73-77 °C/0.4-0.5 mmHg
Flash Point
222.8 °F
Purity
97%
Density
0.875 g/mL at 25 °C
Refractive Index
n20/D 1.445

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
5
Exact Mass
224.1947602 g/mol
Monoisotopic Mass
224.1947602 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
230
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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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