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
   -4.3047    2.7714   -0.6957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8975    1.3490   -0.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3821    1.2388   -0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0496   -0.1922   -0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5907   -0.4819    0.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2019   -0.0518   -0.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5882   -0.2884   -0.8396 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3848    0.2536    0.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8380    1.0090    0.9806 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8118   -0.0009    0.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4731    0.5711    1.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5356   -0.8906   -0.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5075   -1.9672    0.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8662   -2.4748    0.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9117    3.1010   -1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8491    3.3784    0.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4081    2.8272   -0.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2087    0.7515   -1.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4191    0.9497    0.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9149    1.5678   -1.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0639    1.9028    0.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3091   -0.7494   -0.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6939   -0.6746    0.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3157    0.0727    1.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0167    1.0143   -1.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1432   -0.6344   -1.8474 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5238    0.3969    1.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9878    1.2141    1.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5751   -0.5050   -0.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1188   -0.7740   -1.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5556   -1.9325   -0.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1381   -2.1680    1.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9408   -2.5287   -0.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5150   -2.5040   -0.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3535   -1.9994    1.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7361   -3.5514    1.0766 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