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2-Propenoic acid, 2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl ester

2-Propenoic acid, 2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl ester

Inquiry

Molecular Formula:

C26H34O3

Molecular Weight:

394.56

CAS Number:

61167-58-6

Catalog Number:

61167-58-6

Product Information

Molecular Formula:

C26H34O3

Molecular Weight:

394.56

Description

2-Propenoic acid, 2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl ester is a key chemical molecule against drug-resistant strains and has shown great potential in drug development for a variety of diseases.

Synonyms

2-tert-Butyl-6-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-4-methylphenyl acrylate; Sumilizer GM; [2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] prop-2-enoate; 2-(2-HYDROXY-3-TERT-BUTYL-5-METHYLBENZYL)-4-METHYL-6-TERT-BUTYLPHENYL ACRYLATE; 2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl acrylate; 2-Propenoic acid, 2-(1,1-dimethylethyl)-6-((3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl)methyl)-4-methylphenyl ester; 2-Propenoic acid, 2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl ester

IUPAC Name

[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] prop-2-enoate

Canonical SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)OC(=O)C=C

InChI

InChI=1S/C26H34O3/c1-10-22(27)29-24-19(12-17(3)14-21(24)26(7,8)9)15-18-11-16(2)13-20(23(18)28)25(4,5)6/h10-14,28H,1,15H2,2-9H3

InChI Key

IORUEKDKNHHQAL-UHFFFAOYSA-N

Melting Point

136 °C

Purity

>96.0%(HPLC)

Appearance

White to Almost white powder to crystal

Storage

0-10°C

Computed Properties

XLogP3

7.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

394.25079494 g/mol

Monoisotopic Mass

394.25079494 g/mol

Topological Polar Surface Area

46.5Å²

Heavy Atom Count

Formal Charge

Complexity

568

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

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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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2-Propenoic acid, 2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl ester

Product Information

Computed Properties

Patents

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