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
   -3.2632   -1.9715   -0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7695   -1.1567   -1.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7143    0.3092   -1.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9530    0.8549   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5003    0.6653    0.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0849   -0.7270    0.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3145   -0.8974    0.5418 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2431   -0.5603   -0.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8128   -0.0792   -1.4945 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6812   -0.7169   -0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4800   -0.3617   -1.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2735   -1.2673    1.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1093    1.5482    1.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4293    2.9975    1.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6748   -2.9361   -0.6443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0909   -1.4031    0.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5201   -2.2822    0.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9117   -1.5171   -1.9234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6714   -1.2628   -2.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3213    0.7751   -2.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8041    0.6804   -1.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2066    1.9891   -0.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5156    0.5627    0.9234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0739    1.1677   -0.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5993   -1.0907    1.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4361   -1.3919   -0.4404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1583    0.0516   -2.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5456   -0.4737   -1.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3112   -0.9140    1.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387   -1.0081    1.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3306   -2.3858    0.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9489    1.4261    1.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6938    1.2487    2.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2729    3.2861    0.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2114    3.5959    1.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4811    3.2451    1.3977 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