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
   -4.4876    1.6044    0.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9995    1.8040    0.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3405    0.5718   -0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8522    0.7744   -0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1918   -0.4169   -0.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2866   -0.2711   -1.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9784   -0.0327    0.1234 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3566    0.1215    0.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9367    0.0418   -1.0222 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1423    0.3720    1.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4470    0.5120    1.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5151   -1.6930   -0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1975   -2.8642   -0.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0399    1.7478   -0.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8533    2.3966    1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6881    0.5838    0.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8739    2.6624   -0.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5635    2.0788    1.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5237   -0.2346    0.6302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8307    0.3172   -1.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6443    1.7181   -0.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4297    0.9040    0.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207   -0.5599   -1.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6727   -1.2363   -1.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5567    0.4972   -1.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6615    0.4436    2.2602 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0033    0.6945    2.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9589    0.4456    0.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1557   -1.6222    0.8867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103   -1.8662   -0.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1921   -3.0504   -0.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2879   -2.6777   -1.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4580   -3.7661   -0.7069 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