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
   -4.4932   -0.8800    0.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6273   -0.1053   -0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3272   -0.8707   -0.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586   -0.2182   -1.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0175    1.1917   -0.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3950    1.1706    0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8610    0.3525    0.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8681    0.9296   -0.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1442    0.1285   -0.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0672    0.4804   -1.0411 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3204   -0.9494    0.5100 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4175   -1.7568    0.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5645   -1.6716    0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0234   -0.1916    1.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8825   -1.5458    1.4933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2868   -1.4537    0.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1342   -0.0737   -1.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4706    0.8904    0.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8551   -0.9906    0.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5784   -1.8769   -0.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4407   -0.8157   -1.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8037   -0.2296   -2.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906    1.6787   -1.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9804    1.7656   -0.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0894    0.7717    1.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1749    2.2369    0.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3112    0.4066    1.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6547   -0.7089    0.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4680    0.9457   -1.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1213    1.9577   -0.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3150   -2.5689    1.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3839   -2.3877    0.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8324   -0.9354   -0.7317 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