3,3',5,5'-Tetra-tert-butyl-4,4'-stilbenequinone

Inquiry

Molecular Formula:

C30H42O2

Molecular Weight:

434.65

CAS Number:

809-73-4

Catalog Number:

809-73-4

Product Information

Molecular Formula:

C30H42O2

Molecular Weight:

434.65

Description

3,3',5,5'-Tetra-tert-butyl-4,4'-stilbenequinone (CAS# 809-73-4 ) is a useful research chemical.

Synonyms

4,4'-(1,2-Ethanediylidene)bis(2,6-bis(1,1-dimethylethyl)-2,5-cyclohexadien-1-one)

IUPAC Name

2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one

Canonical SMILES

CC(C)(C)C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C30H42O2/c1-27(2,3)21-15-19(16-22(25(21)31)28(4,5)6)13-14-20-17-23(29(7,8)9)26(32)24(18-20)30(10,11)12/h13-18H,1-12H3

InChI Key

VEDXDZRQOYXKTL-UHFFFAOYSA-N

Boiling Point

537 °C at 760 mmHg

Purity

> 95.0 % (HPLC)

Density

1.062 g/cm³

Appearance

Light yellow to brown powder to crystal

Computed Properties

XLogP3

8.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

434.318480578 g/mol

Monoisotopic Mass

434.318480578 g/mol

Topological Polar Surface Area

34.1Å²

Heavy Atom Count

Formal Charge

Complexity

847

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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3,3',5,5'-Tetra-tert-butyl-4,4'-stilbenequinone

Product Information

Computed Properties

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