Octanedioic acid,1,8-diethyl ester

Inquiry

Molecular Formula:

C12H22 O4

Molecular Weight:

230.3

CAS Number:

2050-23-9

Catalog Number:

2050-23-9

Product Information

Molecular Formula:

C12H22 O4

Molecular Weight:

230.3

Description

Octanedioic acid, 1,8-diethyl ester is a chemical compound commonly used in the biomedical industry. This product is mainly utilized for the synthesis of pharmaceutical drugs aiming to treat various diseases. The ester derivative plays a vital role in drug formulation, providing enhanced properties such as improved solubility and stability. Its applications include the development of medications for cardiovascular disorders, cancer treatments, and antimicrobial therapies, among others.

Synonyms

HEXANE-1,6-DICARBOXYLIC ACID DIETHYL ESTER; ETHYL SUBERATE; DIETHYL OCTANEDIOATE; DIETHYL SUBERATE; SUBERIC ACID DIETHYL ESTER; OCTANEDIOIC ACID DIETHYL ESTER

IUPAC Name

diethyl octanedioate

Canonical SMILES

CCOC(=O)CCCCCCC(=O)OCC

InChI

InChI=1S/C12H22O4/c1-3-15-11(13)9-7-5-6-8-10-12(14)16-4-2/h3-10H2,1-2H3

InChI Key

PEUGOJXLBSIJQS-UHFFFAOYSA-N

Boiling Point

282ºC

Melting Point

5-284ºC

Purity

N/A

Density

0.982 g/mL at 25 °C(lit.)

Appearance

colourless liquid

Refractive Index

1.43

Computed Properties

XLogP3

2.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

230.15180918 g/mol

Monoisotopic Mass

230.15180918 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

179

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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Octanedioic acid,1,8-diethyl ester

Product Information

Computed Properties

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