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
   -2.5692   -1.0730    0.8955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4528   -0.1079    0.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3565    0.8463    1.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4476   -0.1877   -0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6748   -1.1665   -1.0728 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6311    0.4227   -0.4778 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7456    1.0230   -0.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8926    0.1319   -1.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8650   -0.6159   -1.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0027   -1.2131   -0.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3257   -0.6407    1.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1980   -2.0733    1.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1191    0.8659    2.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5648    1.5395    1.6936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1151    1.6185    0.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7675    1.8969   -1.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6944   -1.2664   -1.4318 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