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
Resources
cid=

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
   -1.9605    1.3420    1.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9085    0.6698    0.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793   -0.4606    1.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2717    0.9812   -0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6767    2.1342   -0.9706 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6544    0.4495   -1.0384 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6072   -0.0793   -1.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6817   -1.4764   -1.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595   -2.8242   -1.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7668    1.6428    2.6471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4276    2.1243    0.9516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8317    0.5660    1.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3865   -0.9599    0.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6681   -0.8733    2.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6133    0.4187   -1.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4746    0.1138   -2.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138   -3.7687   -1.2343 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