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
   -4.8814   -0.2949    0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3838    0.4601   -0.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0544   -0.0568   -1.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9690    0.0613   -0.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7157   -0.5099   -0.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4841   -0.4679    0.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414    0.9062    0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0304    0.8755    1.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2508    0.3595    0.6793 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2075    0.1347   -0.5511 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3946    0.1450    1.3936 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5592   -0.3167    0.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8259   -0.6345   -0.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8934    0.0951    0.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9728   -1.3727    0.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1522   -0.1418    1.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3888    1.5386   -0.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1169    0.2806   -1.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7181    0.5703   -2.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0971   -1.1318   -1.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2049   -0.4626    0.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8001    1.1261    0.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9187   -1.5786   -1.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5289    0.0131   -1.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2973   -1.0640    0.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034   -0.9653   -0.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0339    1.5952   -0.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0023    1.3873    1.0409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823    0.1655    2.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2520    1.8580    1.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3850   -0.4315    1.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1944   -0.5993   -1.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8561   -0.9924   -0.5948 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