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
    3.1525    1.2355    0.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7764    0.7485   -0.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6898   -0.7445   -0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4058   -1.2773   -0.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8484   -0.8974   -0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    0.5137   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4959    1.0874    1.0835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    1.2974   -1.1405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6456    2.6262   -1.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8841    3.0710   -1.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9611   -1.4723    1.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9127   -2.9830    1.3366 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2992    2.2294   -0.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1585    1.3268    1.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9535    0.5598   -0.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0493    1.3081    0.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7585    1.0195   -1.3913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5467   -1.1239   -0.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9712   -1.1067    0.7932 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4622   -2.4078   -0.6565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2670   -1.0893   -1.8075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6706   -1.4483   -0.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8589    3.3558   -1.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1238    4.1198   -1.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7318    2.3914   -1.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1414   -1.1020    1.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9400   -1.1821    1.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1017   -3.3746    1.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2612   -3.3333    2.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004   -3.3480    0.5337 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