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
    3.6690   -1.2714   -0.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5125   -0.2975   -0.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9463   -0.1340    0.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8116    0.8167    0.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3800    0.5142    0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0967   -0.7193    0.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8338   -1.5939    1.1412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2223   -0.9637   -0.4985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9779   -2.1210   -0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9984   -2.1769    0.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3904    1.6440    0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8173    2.9469   -0.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0044   -1.4258    0.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4842   -0.9248   -1.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3578   -2.2716   -1.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7627   -0.6853   -1.3178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8532    0.6947   -0.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7788    0.3020    1.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7493   -1.1203    1.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    0.9124    1.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2047    1.8219    0.5735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0873    0.5011   -1.0562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6760   -2.9733   -0.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3227   -1.3460    1.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5331   -3.1118    0.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2198    1.3760   -0.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8360    1.7335    1.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0699    3.3898    0.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6754    3.6706   -0.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4905    2.8127   -1.4155 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