Monomers

2-Ethylhexyl methacrylate

Identifiers

IUPAC name
2-ethylhexyl 2-methylprop-2-enoate
InchI
InChI=1S/C12H22O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4/h11H,3,5-9H2,1-2,4H3
InchI Key
WDQMWEYDKDCEHT-UHFFFAOYSA-N
SMILES
CCCCC(COC(=O)C(=C)C)CC
Canonical SMILES
CCCCC(CC)COC(=O)C(=C)C
Isomeric SMILES
CCCCC(CC)COC(=O)C(=C)C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H22O2
Heavy Atom Count
14
Molecular Weight
198.306
Exact Molecular Weight
198.162
Valence Electrons
82
Radical Electrons
0
tPSA
26.3
MolLogP
3.3221
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

 36 35  0  0  0  0  0  0  0  0999 V2000
   -4.6221    0.0180   -0.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9369    0.1658    0.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4615   -0.2830    0.8392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7679    0.5607   -0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3191    0.3151   -0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4505    0.5108    0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8280    0.2986    0.7924 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6098    1.0684   -0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1287    1.9917   -0.7351 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0327    0.8161   -0.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7890    1.5448   -0.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6283   -0.2671    0.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0642   -0.8912   -1.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3197   -2.2146   -0.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1038   -0.7711   -1.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6440   -0.4112   -0.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6767    0.9796   -0.9351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4342   -0.3690    1.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8788    1.2420    1.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5320   -1.3543    0.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0754   -0.1412    1.8795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9119    1.6475    0.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3646    0.4694   -1.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0165    1.1946   -1.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0407   -0.0799    1.7319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3168    1.5875    1.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8723    1.3805   -0.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3232    2.3270   -1.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1385   -1.0292    0.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8791   -0.8149    1.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3929    0.1060    1.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1786   -0.9307   -1.3423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3536   -0.8188   -2.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3879   -3.0346   -0.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2930   -2.5244   -1.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3825   -2.2891    0.4872 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  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  3
 10 12  1  0
  5 13  1  0
 13 14  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  2 19  1  0
  3 20  1  0
  3 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
 11 27  1  0
 11 28  1  0
 12 29  1  0
 12 30  1  0
 12 31  1  0
 13 32  1  0
 13 33  1  0
 14 34  1  0
 14 35  1  0
 14 36  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers