Monomers

Allyl propionate

Identifiers

IUPAC name
prop-2-enyl propanoate
InchI
InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3
InchI Key
XRFWKHVQMACVTA-UHFFFAOYSA-N
SMILES
CCC(=O)OCC=C
Canonical SMILES
CCC(=O)OCC=C
Isomeric SMILES
CCC(=O)OCC=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.1256
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

 18 17  0  0  0  0  0  0  0  0999 V2000
    3.0732    0.1250    0.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9930   -0.7206   -0.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6801   -0.3060    0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2637   -0.7273    1.4285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1272    0.5619   -0.3700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3733    0.9441    0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2989   -0.1569    0.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4600   -0.1793   -0.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7725   -0.5413    1.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6115    0.8618    1.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    0.7228   -0.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2101   -1.8088    0.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0556   -0.6104   -1.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2627    1.5060    1.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8182    1.6688   -0.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0764   -0.9928    1.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7236    0.6206   -0.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1586   -0.9675   -0.0917 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  1  0
  7  8  2  3
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers