Diisodecyl 4-Cyclohexene-1,2-dicarboxylate

Inquiry

Molecular Formula:

C28H50O4

Molecular Weight:

450.7

CAS Number:

87826-26-4

Catalog Number:

87826-26-4

Product Information

Molecular Formula:

C28H50O4

Molecular Weight:

450.7

Description

Diisodecyl 4-Cyclohexene-1,2-dicarboxylate is a remarkable biomedical product. Its impressive anti-inflammatory attributes render it indispensable in the management of conditions intertwined with inflammation, such as rheumatoid arthritis and asthma. Furthermore, its immunomodulatory prowess unveils prospects for potential utilization in the drug development of autoimmune disorders.

Synonyms

4-Cyclohexene-1,2-dicarboxylic Acid Diisodecyl Ester||||Diisodecyl 1,2,3,6-Tetrahydrophthalate||||1,2,3,6-Tetrahydrophthalic Acid Diisodecyl Ester

IUPAC Name

bis(8-methylnonyl) cyclohex-4-ene-1,2-dicarboxylate

Canonical SMILES

CC(C)CCCCCCCOC(=O)C1CC=CCC1C(=O)OCCCCCCCC(C)C

InChI

InChI=1S/C28H50O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,23-26H,5-12,15-22H2,1-4H3

InChI Key

XRFYGUOAWVKOCQ-UHFFFAOYSA-N

Purity

>97.0%(T)

Density

0.95

Appearance

Colorless to Almost colorless clear liquid

Refractive Index

1.47

Computed Properties

XLogP3

9.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

450.37091007 g/mol

Monoisotopic Mass

450.37091007 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

478

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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Diisodecyl 4-Cyclohexene-1,2-dicarboxylate

Product Information

Computed Properties

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