2,2-tert-Diisobutyl-1,3-propanediol

Inquiry

Molecular Formula:

C11H24O2

Molecular Weight:

188.31

CAS Number:

10547-96-3

Catalog Number:

10547-96-3

Product Information

Molecular Formula:

C11H24O2

Molecular Weight:

188.31

Description

2,2-tert-Diisobutyl-1,3-propanediol is a prominent biomedicine compound. Showcasing admirable prowess in pharmaceutical formulations, it reigns as the quintessential ingredient, eliciting awe-inspiring solubility and unwavering stability. Profoundly augmenting the realm of pharmacotherapy, specifically targeted at cardiovascular, gastrointestinal, and respiratory maladies, it bestows upon us the gift of amplified drug delivery and efficacy.

Synonyms

2,2-Dihydroxy-2,2-diisobutylpropane

IUPAC Name

2,2-bis(2-methylpropyl)propane-1,3-diol

Canonical SMILES

CC(C)CC(CC(C)C)(CO)CO

InChI

InChI=1S/C11H24O2/c1-9(2)5-11(7-12,8-13)6-10(3)4/h9-10,12-13H,5-8H2,1-4H3

InChI Key

PTRCHMOHGGDNIJ-UHFFFAOYSA-N

Boiling Point

160 °C / 20mmHg

Melting Point

77°C

Purity

>98.0%(GC)

Density

0.914±0.06 g/cm3(Predicted)

Appearance

White to Almost white powder to crystal

Computed Properties

XLogP3

2.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

188.177630004 g/mol

Monoisotopic Mass

188.177630004 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

114

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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2,2-tert-Diisobutyl-1,3-propanediol

Product Information

Computed Properties

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