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
   -4.1876    1.7995   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4874    0.4803    0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9965    0.6821   -0.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2956   -0.6421   -0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1854   -0.5780   -0.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294    0.3296    0.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1920    0.5343    0.3910 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750    1.0459   -0.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1454    1.3291   -1.6596 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3048    1.2092   -0.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0136    0.8842    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7021   -2.0126   -0.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4805   -2.5827    1.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9251    1.8686    0.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4639    2.6497   -0.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7825    1.9080   -1.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6236    0.0461    1.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9471   -0.2088   -0.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9528    1.0917   -1.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6463    1.4009    0.4834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4918   -1.0187    0.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8303   -1.3463   -0.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2647   -0.2880   -1.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5814    0.0226    1.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3578    1.3507    0.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8274    1.6083   -1.5067 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0814    1.0110    0.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5442    0.4709    1.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7578   -2.0933   -0.6122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0842   -2.6083   -1.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9809   -1.9567    1.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5735   -2.7994    1.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9959   -3.5876    1.0076 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