DODECANEDIOIC ACID DIETHYL ESTER

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Molecular Formula:

C16H30O4

Molecular Weight:

286.41

CAS Number:

10471-28-0

Catalog Number:

10471-28-0

Product Information

Molecular Formula:

C16H30O4

Molecular Weight:

286.41

Description

DODECANEDIOIC ACID DIETHYL ESTER, referred to as diethyl dodecanedioate, emanates as an imperative constituent within the biomedical domain. Enveloped in its chemical essence lies its pivotal role in pharmaceutical synthesis, displaying noteworthy efficacy in tackling multifarious ailments, including cancerous afflictions and cardiovascular imbalances.

Synonyms

DODECANEDIOIC ACID DIETHYL ESTER; DIETHYL DODECANEDIOATE; Docanedioic acid diethyl ester

IUPAC Name

diethyl dodecanedioate

Canonical SMILES

CCOC(=O)CCCCCCCCCCC(=O)OCC

InChI

InChI=1S/C16H30O4/c1-3-19-15(17)13-11-9-7-5-6-8-10-12-14-16(18)20-4-2/h3-14H2,1-2H3

InChI Key

AFYNPRWLOKYLDU-UHFFFAOYSA-N

Boiling Point

192-193ºC14 mm Hg(lit.)

Melting Point

15ºC(lit.)

Purity

95%

Density

0.951 g/mL at 25 °C(lit.)

Appearance

Colourless Oil

Refractive Index

1.44

Computed Properties

XLogP3

4.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

286.21440943 g/mol

Monoisotopic Mass

286.21440943 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

225

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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DODECANEDIOIC ACID DIETHYL ESTER

Product Information

Computed Properties

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