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
   -3.9770    0.4481   -0.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5718    0.8703   -0.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6015   -0.3326   -0.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2573    0.2141   -0.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9269   -0.6790   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1175    0.1676    0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8173   -0.1949    1.0780 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4467    1.3171   -0.5677 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5602    2.0336   -0.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4740    3.0007    0.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9195   -1.8739    0.6451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1776   -2.8530    0.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4892    1.2972   -1.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0428   -0.4788   -1.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5128    0.3056    0.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1970    1.6537   -0.9038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345    1.1946    0.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8809   -1.0668    0.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7430   -0.8011   -1.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2726    0.5089    0.9958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0688    1.1814   -0.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0497   -1.0127   -1.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5436    1.8344   -0.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.5662    1.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5098    3.2419    1.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -2.3932    0.6058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8697   -1.5396    1.7335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7098   -2.8162   -0.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3193   -3.8921    0.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707   -2.9015    1.3389 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