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
   -3.6377    0.9850    0.9722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5424    1.8408    0.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7036    1.0973   -0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0447   -0.1215    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2101   -0.8541   -1.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8770   -0.0794   -1.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8973    0.4603   -0.9365 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503   -0.0161   -0.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1332   -1.2480   -0.2099 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9245    0.8327    0.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7938    2.1465    0.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0579   -2.3042   -0.7716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5484   -2.6977    0.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6276    1.4884    0.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4494    0.7914    2.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7175   -0.0117    0.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0283    2.6840   -0.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9356    2.2512    1.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270    1.7756   -1.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3827    0.7576   -1.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8496   -0.8152    0.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4564    0.1172    0.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0121   -0.8827   -1.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2393   -0.6943   -2.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3819    0.7977   -2.2068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7522    0.4026    1.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5156    2.7408    1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9722    2.6455   -0.0533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5334   -2.7162   -1.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0741   -2.8042   -0.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8493   -1.8553    1.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1493   -3.3801    1.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4378   -3.3338    0.3247 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