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
   -1.5490    0.8339    1.6006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0961    0.7182    1.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7032    1.3894    1.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2637   -0.1614    0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3744   -0.5284   -0.2408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8033   -0.7571   -0.6575 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2873   -1.6403   -1.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7561   -1.0279   -2.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7654   -0.4158   -2.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8257    1.9388    1.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6243    0.5259    2.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1736    0.2098    1.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7597    1.4639    1.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2653    1.9505    2.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917   -1.9702   -2.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0373   -2.5933   -1.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5260    0.0640   -3.4571 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