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
   -4.6788    0.2627    0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7253    1.4251    0.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3155    0.9901    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8002    0.0133    1.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4102   -0.4556    0.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6040    0.6449    0.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8722    0.0742    0.4723 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0268    0.8524    0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8746    2.0891    0.5440 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3318    0.2771    0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5027   -1.0115   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5011    1.1780    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3405   -1.3360   -0.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2265   -2.5353   -0.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6754    0.5476   -0.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8738   -0.0548    1.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3125   -0.5825   -0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1162    2.1755   -0.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7149    1.9080    1.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6892    1.8967   -0.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3647    0.5451   -0.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4678   -0.8828    1.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9277    0.4289    2.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1202   -1.1242    1.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3952    1.3389   -0.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5976    1.1506    1.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4852   -1.4025   -0.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6735   -1.7048   -0.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3890    1.9375    0.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4073    1.7432   -0.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4664    0.6380    0.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6654   -0.7726   -1.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6957   -1.7060   -0.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1777   -2.8445    0.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -3.3860   -0.8435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2965   -2.3175   -0.4420 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