3-Methyl-6-propargyl-1,4-dioxane-2,5-dione
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
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
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
168.04225873 g/mol
Monoisotopic Mass
168.04225873 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
260
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
