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
   -4.9108   -0.7180    0.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3348    0.6627    0.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9587    0.6333   -0.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9757   -0.1439    0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6139   -0.1445   -0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2790   -0.9430    0.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6074   -1.1447    0.2442 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6904   -0.3375    0.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4549    0.7577    1.1261 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0577   -0.6976    0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3360   -1.8198   -0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1534    0.2296    0.5276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759    1.1984   -0.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0640    1.1970   -1.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2045   -1.5259    0.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3102   -0.8160    1.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7833   -0.8896   -0.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3006    1.2107    1.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9964    1.2184   -0.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6342    1.7202   -0.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9885    0.3709   -1.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2097   -1.1976    0.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7700    0.3306    1.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8738   -0.7229   -1.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1083   -0.6071    1.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1774   -2.0110    0.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5393   -2.4919   -0.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3389   -2.0804   -0.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9918    0.2028   -0.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5974    0.0155    1.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8146    1.2948    0.5823 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0515    1.8499    0.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9487    1.7685   -1.3507 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8080    1.6543   -2.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3919    0.1769   -1.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8828    1.7992   -1.2261 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