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
   -5.1262    1.9079   -0.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4360    0.5691   -0.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9644    0.7583   -0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2465   -0.5580    0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7705   -0.3440    0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0469   -1.6596    0.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4171   -1.5170    0.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0935   -0.7549   -0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5359   -0.5800   -0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0888   -1.0485    0.8864 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3127    0.1022   -1.0449 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6678    0.2473   -0.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0866    1.2920   -0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0173    2.3096   -1.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6238    2.6275    0.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1838    1.8756   -0.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9266   -0.1183    0.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4832    0.0931   -1.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8885    1.3139    0.8337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4636    1.3592   -0.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7096   -1.2192    0.7517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2799   -1.1025   -0.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3519    0.2565   -0.5475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6725    0.2195    1.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2092   -2.2694   -0.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5852   -2.2312    1.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4775   -0.9646    1.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -2.5063    0.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6283    0.2729   -0.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9204   -1.2954   -1.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3619   -0.4922   -1.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3866    2.0207    0.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1335    1.4356    0.0553 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