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
   -3.6842    0.8408   -0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4854    1.7620    0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3141    1.0449    0.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9746   -0.1445   -0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1752   -0.9446    0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4185   -0.2096    0.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9457   -0.0969    1.6340 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1049    0.4010   -0.5441 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2931    1.0870   -0.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3436    2.3676   -0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3370   -2.1591   -0.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4839   -3.0264   -0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5749    1.5007   -0.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6150    0.1994   -0.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8443    0.2427    0.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7378    2.6607    0.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1609    1.9887   -1.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4756    1.7756    0.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5389    0.7858    1.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8460    0.1873   -1.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8677   -0.8121   -0.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1389   -1.3481    1.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2340    0.5201   -0.4027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    2.9254    0.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2755    2.8739    0.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5669   -1.8625   -1.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5633   -2.7829   -0.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4378   -2.5663   -0.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4141   -4.0090   -0.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3634   -3.2016    1.0184 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