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
-0.2804 -0.5202 2.4159 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0413 0.0286 1.2688 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2052 0.6092 1.4856 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4628 -0.0966 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0480 0.3470 -1.1065 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7609 -0.7032 -0.2862 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3855 -0.8634 -1.5154 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6377 0.4129 -2.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8397 1.5164 -2.6408 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1968 0.2834 3.0297 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0359 -1.0276 3.0720 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4748 -1.2367 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7687 1.0126 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5712 0.6721 2.4934 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3227 -1.4494 -1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7639 -1.4583 -2.2445 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0316 2.4731 -3.0768 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