Monomers

2-Ethylhexyl acrylate

Identifiers

IUPAC name
2-ethylhexyl prop-2-enoate
InchI
InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3
InchI Key
GOXQRTZXKQZDDN-UHFFFAOYSA-N
SMILES
CCCCC(COC(=O)C=C)CC
Canonical SMILES
CCCCC(CC)COC(=O)C=C
Isomeric SMILES
CCCCC(CC)COC(=O)C=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H20O2
Heavy Atom Count
13
Molecular Weight
184.279
Exact Molecular Weight
184.1463
Valence Electrons
76
Radical Electrons
0
tPSA
26.3
MolLogP
2.932
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

 33 32  0  0  0  0  0  0  0  0999 V2000
   -2.2294    2.5366    0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0162    1.0389    0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436    0.5716   -0.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0861   -0.8989   -0.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2118   -1.4038    0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1576   -0.8190    0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1929    0.5811    0.3361 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4815    1.1514    0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5027    0.4127    0.2702 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6844    2.5668    0.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8890    3.0721    0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0439   -2.9208    0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3357   -3.6485    0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2963    3.0842    0.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4528    2.7616   -0.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0841    2.8485    0.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0067    0.5353    0.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4005    0.8546    1.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4648    1.2050   -1.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0491    0.7889   -1.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -1.4805   -1.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5145   -1.0932   -1.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6707   -1.2196    1.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6599   -1.2491    1.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7674   -1.0490   -0.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8397    3.2147    0.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7632    2.4219    0.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0590    4.1406    0.7166 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4632   -3.1384   -0.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6941   -3.2247    0.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5106   -4.2131   -0.7568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1915   -3.0055    0.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2302   -4.4224    0.9841 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
  5 12  1  0
 12 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
 10 26  1  0
 11 27  1  0
 11 28  1  0
 12 29  1  0
 12 30  1  0
 13 31  1  0
 13 32  1  0
 13 33  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers