3,6-Diisobutylphthalonitrile

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Product Information

Molecular Formula
C16H20N2
Molecular Weight
240.34
IUPAC Name
3,6-bis(2-methylpropyl)benzene-1,2-dicarbonitrile
SMILES
CC(C)CC1=C(C(=C(C=C1)CC(C)C)C#N)C#N
InChI
InChI=1S/C16H20N2/c1-11(2)7-13-5-6-14(8-12(3)4)16(10-18)15(13)9-17/h5-6,11-12H,7-8H2,1-4H3
InChI Key
JNHMJTKDMBQXKQ-UHFFFAOYSA-N
Purity
97%

Computed Properties

XLogP3
4.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
240.162648646
Monoisotopic Mass
240.162648646
Topological Polar Surface Area
47.6
Heavy Atom Count
18
Formal Charge
0
Complexity
316
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
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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