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Diallyl 1,4-Cyclohexanedicarboxylate(cis- and trans- mixture)

Diallyl 1,4-Cyclohexanedicarboxylate(cis- and trans- mixture)

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Molecular Formula:

C14H20O4

Molecular Weight:

252.31

CAS Number:

20306-22-3

Catalog Number:

20306-22-3

Product Information

Molecular Formula:

C14H20O4

Molecular Weight:

252.31

Description

Diallyl 1,4-Cyclohexanedicarboxylate (cis- and trans- mixture) is a biomedicine compound used to develop various disease drugs. It exhibits potential pharmacological activities such as antimicrobial, antioxidant, and anti-inflammatory properties. This product can be employed in the synthesis of novel drug formulations aiming to combat infections or oxidative stress-related disorders. Its versatile nature makes it a valuable component in biomedicine research and development.

Synonyms

1,4-Cyclohexanedicarboxylic Acid Diallyl Ester

IUPAC Name

bis(prop-2-enyl) cyclohexane-1,4-dicarboxylate

Canonical SMILES

C=CCOC(=O)C1CCC(CC1)C(=O)OCC=C

InChI

InChI=1S/C14H20O4/c1-3-9-17-13(15)11-5-7-12(8-6-11)14(16)18-10-4-2/h3-4,11-12H,1-2,5-10H2

InChI Key

ZXTPJLLIHIDBKQ-UHFFFAOYSA-N

Purity

>98.0%(GC)

Appearance

Colorless to Almost colorless clear liquid

Refractive Index

1.4730 to 1.4770

Computed Properties

XLogP3

2.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

252.13615911 g/mol

Monoisotopic Mass

252.13615911 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

282

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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Diallyl 1,4-Cyclohexanedicarboxylate(cis- and trans- mixture)

Product Information

Computed Properties

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