Monomers

Vinyl propionate

Identifiers

IUPAC name
ethenyl propanoate
InchI
InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3
InchI Key
UIWXSTHGICQLQT-UHFFFAOYSA-N
SMILES
CCC(=O)OC=C
Canonical SMILES
CCC(=O)OC=C
Isomeric SMILES
CCC(=O)OC=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
26.3
MolLogP
1.0831
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

 15 14  0  0  0  0  0  0  0  0999 V2000
    2.4231    0.2678    0.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4450   -0.3306   -0.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0752    0.1345   -0.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5334    0.8594   -1.3770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7110   -0.1815    0.5998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0193    0.2706    0.7285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0430   -0.4522    0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1374    1.2821    0.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4389    0.2398   -0.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5021   -0.3815    1.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7777    0.0296   -1.7174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -1.4069   -0.7118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2176    1.2304    1.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0686   -0.1558    0.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8232   -1.4058   -0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  3
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  6 13  1  0
  7 14  1  0
  7 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers