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
-0.2721 0.8313 2.1822 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8010 1.0203 0.8145 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5397 2.0627 0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4854 0.0381 -0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9034 0.1420 -1.3812 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2976 -1.0505 0.1225 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6673 -2.0645 -0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4268 -1.4545 -1.8813 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0590 -0.9484 -2.7765 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9056 1.3877 2.8854 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7985 1.1115 2.2318 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3421 -0.2495 2.4775 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8109 2.8245 1.2431 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9329 2.2022 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1985 -2.5866 -1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3226 -2.7865 -0.2097 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6199 -0.4798 -3.5682 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