2,2-DI-N-OCTYL-1,3-PROPANEDIOL

Inquiry

Molecular Formula:

C19H40O2

Molecular Weight:

300.52

CAS Number:

106868-09-1

Catalog Number:

106868-09-1

Product Information

Molecular Formula:

C19H40O2

Molecular Weight:

300.52

Description

2,2-DI-N-OCTYL-1,3-PROPANEDIOL is a specialized pharmaceutical intermediate, primarily used in the formulation of various lipid-based drugs. It is appreciated for its properties in increasing the bioavailability of poorly soluble drugs, enhancing drug efficacy.

Synonyms

1,3-DIHYDROXY-2,2-DI-N-OCTYLPROPANE; 2,2-DI-N-OCTYL-1,3-PROPANEDIOL; 9,9-BIS(HYDROXYMETHYL)HEPTADECANE

IUPAC Name

2,2-dioctylpropane-1,3-diol

Canonical SMILES

CCCCCCCCC(CCCCCCCC)(CO)CO

InChI

InChI=1S/C19H40O2/c1-3-5-7-9-11-13-15-19(17-20,18-21)16-14-12-10-8-6-4-2/h20-21H,3-18H2,1-2H3

InChI Key

NFPNQEAEXIXGNY-UHFFFAOYSA-N

Boiling Point

424.3ºC at 760 mmHg

Purity

95%

Density

0.891g/cm3

Appearance

White or Colorless to Almost white or Almost colorless powder to lump to clear liquid

Storage

0-10℃

Computed Properties

XLogP3

7.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

300.302830514 g/mol

Monoisotopic Mass

300.302830514 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

182

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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Volume _(start)

Concentration _(final)

Volume _(final)

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2,2-DI-N-OCTYL-1,3-PROPANEDIOL

Product Information

Computed Properties

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