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
    3.1461   -2.0941    0.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7019   -1.9115   -1.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0459   -0.5658   -1.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8255   -0.4121   -0.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1560    0.9252   -0.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0548    0.9543    0.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9358   -0.0980    0.0803 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1197   -0.2889    0.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4164    0.4740    1.7355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0214   -1.3633    0.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1351   -1.5198    1.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0924    1.9980   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4968    3.3807   -0.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1487   -2.5900    0.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1484   -1.1304    0.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4434   -2.7852    0.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436   -1.8890   -1.6347 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0766   -2.7472   -1.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8035   -0.4722   -2.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8272    0.1904   -0.9891 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1644   -0.5719    0.7138 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1390   -1.2538   -0.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1728    1.0990   -1.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6305    1.9013    0.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7342    0.9311    1.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7528   -2.0170   -0.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3739   -0.8556    1.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7961   -2.3233    0.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3248    1.8555    1.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0516    2.0141   -0.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1070    3.5705    0.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2524    4.1712   -0.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2377    3.4240   -1.0000 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