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
    4.1424    0.1980   -0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7204    0.6817   -0.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8835    0.1540    0.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533    0.5666    0.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2413    0.1114   -0.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6386    0.6052   -0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0449    1.3684   -1.4804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4962    0.2629    0.4159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7858    0.6199    0.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5485    1.3998   -0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1955   -1.3794   -0.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274   -2.1603    0.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1514   -0.8689    0.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7639    0.3088   -1.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5333    0.7668    0.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6714    1.7724   -0.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    0.2745   -1.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2831    0.5888    1.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0407   -0.9303    0.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1437    0.2728    1.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4401    1.6910    0.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2999    0.5625   -1.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2613    0.1936    1.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5928    1.6138    0.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2312    1.8896   -1.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8465   -1.6880   -0.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7033   -1.6085   -1.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4499   -1.8213    1.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9200   -2.2215    0.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4595   -3.2245    0.1747 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