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
   -3.7621    1.5290    0.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8659    0.8656   -0.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6046    0.2997   -0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7934   -0.3294   -1.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4849   -0.9407   -0.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3929    0.0368   -0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7504   -0.1295    1.1704 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8849    1.1528   -0.6831 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7299    2.0435   -0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0322    1.8998   -0.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2943   -2.1735    0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276   -2.7414    0.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7768    1.5400   -0.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7699    0.9125    1.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4658    2.5814    0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5934    1.6162   -1.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4601    0.0495   -1.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9594   -0.4201    0.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1072    1.1818    0.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5514    0.4431   -1.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4023   -1.1094   -1.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0222   -1.2935   -1.5892 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3061    2.8740    0.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4999    1.0675   -0.6142 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6793    2.6109    0.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3158   -1.9635    1.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2305   -2.9551   -0.3712 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228   -2.1291    0.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7685   -2.7293    1.7099 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7628   -3.7897    0.2706 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