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
   -2.1697   -1.0036   -0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5210    0.2824    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1960    1.3162    0.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0746    0.4192   -0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5287    1.5087   -0.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7146   -0.6330   -0.6497 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1027   -0.5154   -0.8568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7717   -0.1384    0.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3132    0.1892    1.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1699   -0.8665   -0.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5346   -1.6271   -0.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3322   -1.5192    0.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7884    2.2881    0.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2817    1.2296    0.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3839    0.1286   -1.6889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4832   -1.5444   -1.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7703    0.4859    2.3367 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