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
   -2.4043   -2.1240    0.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -0.6645    0.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1692    0.0353    0.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6617   -0.0887   -0.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6603    0.5471   -1.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7631    0.0070   -0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7380   -0.5161   -0.8402 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7969    0.0377    1.1304 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8740   -0.4936    1.8178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8713   -1.7588    2.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6738    2.0431   -0.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3146    2.6447   -1.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6837   -2.6582    0.9727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4065   -2.5760    0.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2371   -2.3072   -0.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -0.6030    1.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2523   -0.2019   -0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4839   -0.4810    1.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3035    1.0536    0.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655   -1.1706   -1.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3963    0.3252   -1.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9010    0.3314   -2.1331 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7179    0.1318    2.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6807   -2.2288    2.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0148   -2.3927    1.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5313    2.4052    0.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6785    2.3901   -1.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0730    3.7151   -2.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1755    2.1096   -2.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3203    2.4883   -1.5026 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