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
   -3.8887    0.0819   -0.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9959   -0.1978    0.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6342    0.0594    1.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6593   -0.8722    0.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2577   -0.7313    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2905    0.6488    1.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3770    1.0785   -0.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2333    0.2420   -1.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6561    0.1907   -0.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0642    0.8051    0.1854 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5799   -0.5472   -1.5309 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9056   -0.7188   -1.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6472   -0.2311   -0.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9302    0.1990   -1.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4713   -0.7976   -1.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2971    1.0045   -1.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3158   -1.2433    0.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7735    0.4741    1.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4226    1.1323    1.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7381   -0.1979    2.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6427   -0.6822   -0.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0446   -1.9028    0.7911 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3968   -1.5243    0.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3608   -0.9133    2.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4431    1.3498    1.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    0.7781    1.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6532    1.0634   -0.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6994    2.1376   -0.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2476    0.7031   -2.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8049   -0.7721   -1.4099 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4272   -1.3727   -2.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6992   -0.4682   -0.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2810    0.4140    0.4448 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