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
-2.4091 -1.2549 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4487 -0.2956 -0.7178 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7172 0.3649 -1.7916 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1239 -0.1739 -0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0923 -0.5887 1.1217 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0116 0.3100 -0.6880 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2948 0.4555 -0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5259 0.7271 1.0713 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7111 0.9329 2.1092 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1840 -2.2288 -0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2929 -1.5475 0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4387 -0.9591 -0.4231 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6810 0.3056 -2.3437 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9635 1.1411 -2.0794 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5614 1.6399 -0.7689 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1002 -0.0081 -0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9617 1.1795 3.4729 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