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
   -4.3670    1.2243    0.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4485    0.0059   -0.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0974   -0.2337   -1.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0299   -0.4674   -0.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7480   -0.6915   -1.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4430   -0.9476   -0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6492    0.2286    0.7391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8354    0.0614    1.6652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0975   -0.1236    0.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3472   -1.2896    0.4521 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0138    0.8622    0.6637 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1911    0.7125   -0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3278    0.3799    0.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2631    0.8817    1.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2378    1.8710    0.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4751    1.8441   -0.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7572   -0.9081   -0.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1619    0.1760   -1.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8342    0.6182   -2.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1913   -1.1176   -2.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9840    0.4975    0.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3406   -1.3070    0.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5098    0.2396   -1.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8530   -1.5688   -1.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3236   -1.8783    0.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3231   -1.0424   -0.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2739    0.4039    1.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7867    1.1269    0.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6128   -0.8169    2.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8699    0.9346    2.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1907    0.8723   -1.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2342    0.2644    0.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3267    0.2189    1.6096 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