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
-2.3137 0.0098 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9717 -0.6150 0.7439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7824 -1.6854 1.4586 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2112 -0.0357 -0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3917 0.9965 -0.9292 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0379 -0.7307 -0.6756 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8183 -0.0860 -1.6963 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1629 1.1923 -1.5297 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5123 2.4604 -1.3458 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0936 -0.7528 1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1797 0.4545 2.2064 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5647 0.7911 0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1353 -2.4793 1.6304 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6992 -1.8637 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7499 -0.7816 -1.7394 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2647 -0.3095 -2.6963 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7973 3.4351 -1.2121 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