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
    2.4517   -0.6062   -0.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463   -0.3920   -0.9895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552    0.1725   -0.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3177    0.3969    1.0932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1002    0.4901   -0.6541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0893    1.0126    0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9264    0.2147    0.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2400   -0.3309    0.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8004   -1.6492   -0.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2543    0.0794   -0.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9233   -1.3840   -1.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4594    0.2663   -1.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793    2.0708    0.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7163    0.5358    1.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8367   -0.8770    0.6593 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