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
   -4.4661    0.6355   -0.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0616   -0.4609    0.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1449   -1.4761   -0.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8576   -0.8542   -0.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0967   -0.2026    0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1753    0.3901   -0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0073    1.0679    1.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2470    1.6360    0.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0760    0.5867   -0.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8400    0.1631   -1.4674 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1496    0.0340    0.4027 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9211   -0.9437   -0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -0.5971   -0.9026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0287    0.5285   -1.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5661    0.6531   -0.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1800    1.6282    0.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5715   -0.0203    1.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9618   -1.0136    0.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8659   -2.1954    0.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6185   -2.0576   -0.8672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9965   -0.1971   -1.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2180   -1.7113   -0.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414   -0.9517    1.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6954    0.6344    0.9750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0910    1.1433   -0.8016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7888   -0.3891   -0.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3032    0.3744    1.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4395    1.9181    1.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9032    2.1313    1.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9787    2.4129   -0.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.9876   -0.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2147    0.4452   -1.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5891   -1.3242   -1.3869 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