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
   -3.3877    1.7780   -0.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4143    0.6466   -0.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8647    0.1967    0.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8895   -0.9182    0.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3037   -0.6048   -0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1304    0.5123    0.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8001    1.0780    1.3223 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2558    0.9493   -0.4088 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0645    1.9870    0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0978    1.7763    0.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172   -1.7993   -0.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5659   -2.9661   -1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3883    1.3454   -0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4159    2.4447   -1.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0192    2.3382    0.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6399    1.0306   -1.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9948   -0.1740   -1.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5130    1.0095    1.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7619   -0.2282    1.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6381   -1.3144    1.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4280   -1.7626    0.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0813   -0.2842   -1.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8611    2.9831   -0.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7447    2.5707    1.1555 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3551    0.7795    1.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -1.4594   -1.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6163   -2.0825    0.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0385   -3.5044   -0.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3713   -3.6713   -1.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0040   -2.6563   -1.9564 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