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
-0.0201 -0.1746 2.5455 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7704 -0.3095 1.2512 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0751 -0.4034 1.2481 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0072 -0.3188 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2729 -0.2204 0.1348 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5196 -0.4222 -1.2468 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3884 -0.4357 -2.3779 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2110 0.7575 -2.3212 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9163 1.7579 -2.2904 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9800 -0.6717 2.4525 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6111 -0.5553 3.3892 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2029 0.9262 2.6123 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6077 -0.5005 0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6466 -0.3888 2.1544 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2658 -0.3816 -3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0033 -1.3270 -2.3655 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5489 2.6678 -2.2801 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