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
    2.3208    2.4583    1.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3871    1.3981    1.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784    0.0241    0.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4388   -0.0175   -0.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9155   -1.3641   -0.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7123   -1.8146   -0.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4327   -0.8443   -0.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6670   -1.3030    0.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7387   -0.2992    0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4777    0.9030    0.5377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9995   -0.6414   -0.1457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0371    0.2693   -0.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9399    0.5412    0.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    2.0233    1.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1975    2.7130    0.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5941    3.3966    1.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2856    1.5895    0.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7409    1.4308    2.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7584   -0.6657    1.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0973   -0.3541    1.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3301    0.1853   -1.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7096    0.7820   -0.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7283   -2.1142   -0.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5785   -1.2817   -1.9986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3550   -2.7496   -0.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9322   -2.1160    0.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1364    0.1798    0.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7142   -0.7692   -1.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0199   -2.2929    0.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4304   -1.3721    1.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0648    0.7671   -1.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9586    0.0749    1.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7182    1.2634    0.3063 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