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
-1.6895 -1.4057 0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6943 -0.0081 0.1691 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8506 0.5894 -0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4537 0.6955 -0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4806 1.8915 -0.4414 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7628 0.0406 0.1572 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9319 0.8076 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1405 0.0285 0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1425 -0.6127 0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4118 -1.5133 1.6996 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9774 -2.0329 0.0266 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6851 -1.8764 0.4886 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8027 0.0790 0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8583 1.6160 -0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9415 1.7450 0.5065 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9499 1.1246 -1.1643 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0349 -1.1686 0.6056 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