3-Methyl-6-propargyl-1,4-dioxane-2,5-dione

Inquiry

Molecular Formula:

C8H8O4

Molecular Weight:

168.15

CAS Number:

1309656-54-9

Catalog Number:

1309656-54-9

Product Information

Molecular Formula:

C8H8O4

Molecular Weight:

168.15

Description

3-Methyl-6-propargyl-1,4-dioxane-2,5-dione is a functionalized biodegradable monomer that can be polymerized using ring-opening polymerization to yield polylactide with a pendant alkyne functionality. This pendant group can be used to further functionalize the polymer or as a backbone for graft copolymer synthesis.

Synonyms

Alkyne-functionalized lactide,Propargyl lactide

IUPAC Name

3-methyl-6-prop-2-ynyl-1,4-dioxane-2,5-dione

Canonical SMILES

CC1C(=O)OC(C(=O)O1)CC#C

InChI

InChI=1S/C8H8O4/c1-3-4-6-8(10)11-5(2)7(9)12-6/h1,5-6H,4H2,2H3

InChI Key

RUCSPYCHQRRDIK-UHFFFAOYSA-N

Flash Point

Not applicable

Purity

≥95%

Storage

−20°C

Safety Information

Hazards

H319

Precautionary Statement

P305 + P351 + P338

Computed Properties

XLogP3

0.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

168.04225873 g/mol

Monoisotopic Mass

168.04225873 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

260

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-Methyl-6-propargyl-1,4-dioxane-2,5-dione

Product Information

Safety Information

Computed Properties

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