Monomers

Vinyl pelargonate

Identifiers

IUPAC name
ethenyl nonanoate
InchI
InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h4H,2-3,5-10H2,1H3
InchI Key
NWJTZFZQVYJIHU-UHFFFAOYSA-N
SMILES
CCCCCCCCC(=O)OC=C
Canonical SMILES
CCCCCCCCC(=O)OC=C
Isomeric SMILES
CCCCCCCCC(=O)OC=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H20O2
Heavy Atom Count
13
Molecular Weight
184.279
Exact Molecular Weight
184.1463
Valence Electrons
76
Radical Electrons
0
tPSA
26.3
MolLogP
3.4237
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

 33 32  0  0  0  0  0  0  0  0999 V2000
   -4.5423    0.6031    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4602    0.5965   -0.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3446   -0.3544   -0.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0140    0.1274    0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9418   -0.8162   -0.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4329   -0.4882    0.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8160    0.8838   -0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1720    1.3372    0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2791    0.4779   -0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1526   -0.5483   -1.1227 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5945    0.7960   -0.0538 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6714    0.0318   -0.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0597   -0.9586    0.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6106    0.7704    1.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1888   -0.3559    1.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9424    1.4464    1.7878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2781    1.6121   -0.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4016    0.1921   -0.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2104   -0.3378   -1.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5727   -1.3561   -0.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1526    0.1766    1.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8653    1.1384   -0.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9585   -0.8800   -1.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2016   -1.8543   -0.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4711   -0.4997    1.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1454   -1.2704   -0.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0397    1.5872    0.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7401    0.8741   -1.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1789    1.4559    1.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3342    2.3479   -0.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1575    0.2842   -1.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5430   -1.1603    1.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8974   -1.5578    0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  3
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
  7 27  1  0
  7 28  1  0
  8 29  1  0
  8 30  1  0
 12 31  1  0
 13 32  1  0
 13 33  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers