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
    5.5263   -0.2861    0.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1986   -0.9934   -0.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0330   -0.0736    0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7703   -0.8551   -0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5228   -0.0401    0.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -0.9229   -0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8914   -0.2853    0.1671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1046   -0.9065   -0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1044   -2.0997   -0.4242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3932   -0.2570    0.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5248   -0.8931   -0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4204    1.1696    0.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5022    1.1915   -0.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7363    2.0206   -0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7198   -0.3056    1.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3043   -0.8422   -0.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4337    0.7517   -0.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1433   -1.9551    0.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1461   -1.2052   -1.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379    0.8012   -0.4523 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0420    0.2315    1.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7119   -1.2054   -1.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7571   -1.7168    0.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4801    0.2487    1.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6142   -1.7974    0.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5531   -1.3304   -1.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5613   -1.9142   -0.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4522   -0.3813    0.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7158    1.3082    1.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1783    1.8713   -0.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4186    1.4328    1.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5277    0.8110   -1.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3748    1.8387   -0.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4866    3.0851   -0.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0179    1.8579    0.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5142    1.6464   -1.0891 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