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
-2.5865 -0.7184 0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2886 -0.2526 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9853 0.8587 -0.7327 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1104 -1.1187 0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2503 -2.0983 1.2347 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0473 -0.7984 0.2037 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4966 -0.8663 0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4656 0.5301 -0.5059 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4289 1.8392 -1.1027 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5070 -0.7560 1.6675 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0165 -1.5984 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4238 0.1402 0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1703 1.3517 -0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1639 1.2491 -0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3410 -0.0847 1.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3362 -1.0144 0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3869 3.3372 -1.7633 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