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
-2.5692 -1.0730 0.8955 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4528 -0.1079 0.8187 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3565 0.8463 1.7497 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4476 -0.1877 -0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6748 -1.1665 -1.0728 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6311 0.4227 -0.4778 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7456 1.0230 -0.8204 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8926 0.1319 -1.0383 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8650 -0.6159 -1.2412 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0027 -1.2131 -0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3257 -0.6407 1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1980 -2.0733 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1191 0.8659 2.5435 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5648 1.5395 1.6936 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1151 1.6185 0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7675 1.8969 -1.5257 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6944 -1.2664 -1.4318 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