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
-2.1689 1.9236 -0.5917 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8242 1.2967 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1699 1.8368 -0.9416 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7565 -0.1037 0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7487 -0.6057 0.4434 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5345 -0.5970 0.2502 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8363 -1.8879 0.8226 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2257 -2.1003 0.9599 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4545 -2.2828 1.0866 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9469 1.2759 -0.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5129 2.0807 -1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1596 2.9342 -0.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1199 2.2037 -1.2651 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3946 2.9094 -1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4055 -2.6725 0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2478 -1.9110 1.7493 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5181 -2.4364 1.2147 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