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
   -3.2139   -1.8214   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1164   -0.3278   -0.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6712    0.4594    0.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034    0.1955    1.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0924    0.3232    0.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1151   -0.5753   -0.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3844   -0.4709   -1.1044 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5104   -0.8148   -0.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4597   -1.2228    0.8164 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8403   -0.7004   -1.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9115   -1.0193   -0.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1436    1.7888    0.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4015    2.1053   -0.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0770   -2.2817   -0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2469   -2.0455    0.8693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3091   -2.3535   -0.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2501   -0.0403   -0.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7489   -0.1057   -1.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7851    1.5553    0.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4861    0.3703    1.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4045   -0.8351    1.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2839    0.8667    2.3017 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6928    0.0978    1.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6043   -0.3576   -1.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0050   -1.6544   -0.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9388   -0.3564   -2.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8272   -1.3625    0.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8821   -0.9438   -0.7866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7030    2.1691   -0.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0753    2.4041    1.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.2478   -0.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4993    1.7609   -1.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3194    1.9448    0.2248 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