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
   -2.2774    0.3433   -0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862   -0.5586    0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1737   -0.8057    0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2188   -1.9465   -0.2594 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8074    0.1876    0.1280 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1400   -0.0391   -0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9795    0.9774   -0.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6714    1.2703   -0.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5467   -0.1875   -1.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2084    0.7055   -0.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1320   -1.5419    0.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7494   -0.1678    1.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5247   -1.0419   -0.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6506    1.9679    0.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0241    0.8370   -0.3844 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