Monomers
Propargyl methacrylate
Identifiers
IUPAC name
prop-2-ynyl 2-methylprop-2-enoate
InchI
InChI=1S/C7H8O2/c1-4-5-9-7(8)6(2)3/h1H,2,5H2,3H3
InchI Key
PZAWASVJOPLHCJ-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)OCC#C
Canonical SMILES
CC(=C)C(=O)OCC#C
Isomeric SMILES
CC(=C)C(=O)OCC#C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H8O2
Heavy Atom Count
9
Molecular Weight
124.139
Exact Molecular Weight
124.0524
Valence Electrons
48
Radical Electrons
0
tPSA
26.3
MolLogP
0.7389
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
17 16 0 0 0 0 0 0 0 0999 V2000
-2.3430 0.8283 -0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4429 0.2354 0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8257 0.1791 1.6541 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1458 -0.2773 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2132 -0.2195 -1.1950 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7370 -0.8413 0.9081 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9824 -1.3175 0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7706 -0.2413 -0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4019 0.6550 -0.6828 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7737 1.3875 -1.3975 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0323 1.5961 -0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9295 0.0408 -1.1397 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1795 -0.2470 2.3877 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7831 0.5601 1.9346 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5431 -1.6791 1.3223 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8423 -2.0950 -0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9652 1.4356 -1.1079 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 1 0
8 9 3 0
1 10 1 0
1 11 1 0
1 12 1 0
3 13 1 0
3 14 1 0
7 15 1 0
7 16 1 0
9 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers