Hexadecanedioic acid,1,16-dimethyl ester

Inquiry

Molecular Formula:

C18H34 O4

Molecular Weight:

314.4602

CAS Number:

19102-90-0

Catalog Number:

19102-90-0

Product Information

Molecular Formula:

C18H34 O4

Molecular Weight:

314.4602

Description

Hexadecanedioic acid, 1,16-dimethyl ester is a prominent biomedicine. Particularly efficacious in countering troublesome dermatological afflictions like psoriasis and eczema, this compound unveils its prowess by orchestrating immune responses and abating cutaneous inflammation. Its unique properties make it a compelling candidate for dermatological interventions, warranting due attention from the scientific community.

Synonyms

DIMETHYL-1,16-HEXADECANEDIOATE; DIMETHYL HEXADECANEDIOATE; 1,14-Tetradecanedicarboxylic acid dimethyl ester; Dimethyl thapsate; Hexadecadioic acid, dimethyl ester; hexadecanedioic acid,dimethyl ester

IUPAC Name

dimethyl hexadecanedioate

Canonical SMILES

COC(=O)CCCCCCCCCCCCCCC(=O)OC

InChI

InChI=1S/C18H34O4/c1-21-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)22-2/h3-16H2,1-2H3

InChI Key

MQIZSSSBYFJIJF-UHFFFAOYSA-N

Boiling Point

172 °C/1 mmHg

Melting Point

53 °C

Purity

>95.0%(GC)

Density

0.945 g/cm3

Appearance

White to Almost white powder to crystal

Computed Properties

XLogP3

6.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

314.24570956 g/mol

Monoisotopic Mass

314.24570956 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

248

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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Hexadecanedioic acid,1,16-dimethyl ester

Product Information

Computed Properties

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