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
   -4.0740    0.7051   -0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8467    1.4153   -0.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8170    0.4716   -1.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3495   -0.5359   -0.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7296    0.1660    0.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4562    0.9980    0.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4963    0.2699   -0.0326 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6539    0.9115   -0.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7134    2.1685   -0.2307 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7813    0.2390   -1.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7307   -1.0540   -1.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9856    0.9915   -1.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3547   -0.8722    1.9598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5993   -1.6158    2.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1843   -0.2444   -0.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0002    0.4693    0.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9798    1.3498   -0.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4694    2.0862    0.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1762    2.0644   -1.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9294    1.0848   -1.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2280   -0.0198   -2.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1718   -1.1967    0.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6218   -1.2070   -0.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5006    0.8433    1.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1556    1.8870   -0.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8648    1.4143    1.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8384   -1.6316   -0.9539 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5683   -1.5766   -1.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9302    0.5165   -1.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1271    1.0644   -2.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9988    2.0247   -1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3227   -1.6256    1.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1577   -0.3959    2.8351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4898   -2.0791    3.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7774   -2.4260    1.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4815   -0.9379    2.3366 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