Monomers

Vinyl 2-ethylhexanoate

Identifiers

IUPAC name
ethenyl 2-ethylhexanoate
InchI
InChI=1S/C10H18O2/c1-4-7-8-9(5-2)10(11)12-6-3/h6,9H,3-5,7-8H2,1-2H3
InchI Key
IGBZOHMCHDADGY-UHFFFAOYSA-N
SMILES
CCCCC(C(=O)OC=C)CC
Canonical SMILES
CCCCC(CC)C(=O)OC=C
Isomeric SMILES
CCCCC(CC)C(=O)OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H18O2
Heavy Atom Count
12
Molecular Weight
170.252
Exact Molecular Weight
170.1307
Valence Electrons
70
Radical Electrons
0
tPSA
26.3
MolLogP
2.8895
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

 30 29  0  0  0  0  0  0  0  0999 V2000
    3.2104   -1.6784    0.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3656   -0.7974   -0.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1225   -0.3024    0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3576    0.5531   -0.9375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9092    1.1269   -0.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690    0.0832    0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2234    0.0502    1.2699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4009   -0.8660   -0.7898 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2888   -1.8422   -0.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8626   -3.0051   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6416    2.0927    0.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1992    3.2427    0.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0424   -1.1074    0.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6959   -2.4381   -0.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -2.2372    0.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9710    0.1055   -0.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1132   -1.3059   -1.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5934   -1.1828    0.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5092    0.3220    0.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1148   -0.0075   -1.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9972    1.4077   -1.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3524    1.7595   -1.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3393   -1.6602   -0.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8050   -3.2037    0.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5260   -3.8098    0.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2223    1.5698    1.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6423    2.4984    1.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1420    3.3024   -0.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2063    4.2010    0.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2421    3.1290    0.6748 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  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  3
  5 11  1  0
 11 12  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
  5 22  1  0
  9 23  1  0
 10 24  1  0
 10 25  1  0
 11 26  1  0
 11 27  1  0
 12 28  1  0
 12 29  1  0
 12 30  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers