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
-2.2158 -0.0722 -1.0823 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9343 0.7932 -0.9076 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9290 1.9349 -1.4031 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0279 0.1751 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9904 0.7568 0.4380 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0860 -1.2563 0.3031 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9769 -1.5747 1.2245 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2359 -0.9082 0.7599 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1622 -0.4274 0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3734 -0.0733 -2.2106 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9811 0.5238 -0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0148 -1.0525 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1072 2.6331 -1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8208 2.3500 -1.9226 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7568 -1.2493 2.2452 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1406 -2.6724 1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1720 0.1194 0.0124 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