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
   -4.1301   -1.1429   -0.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9321   -0.2060   -0.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6951   -1.0104   -0.5996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3889   -0.4220   -0.8675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1677    0.5893    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5148    1.1220   -0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4719    0.1412   -0.5263 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0104   -0.6753    0.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6009   -0.5401    1.6130 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0265   -1.6822    0.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5134   -1.8938   -1.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7751    1.6300    0.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1007    2.6831    1.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0386   -0.6256   -0.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0290   -2.0891   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1519   -1.2390    0.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1278    0.1010   -1.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0858    0.6376   -0.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6765   -1.4759    0.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8751   -1.9488   -1.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3400    0.0250   -1.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3557   -1.3005   -0.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4892   -0.0352    0.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    1.9329    0.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3395    1.5589   -1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3908   -2.2785    0.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2603   -2.6439   -1.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1661   -1.3134   -1.8767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2614    2.1370   -0.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4812    1.1412    1.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9340    3.2318    1.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4694    2.1791    2.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4671    3.4123    0.7988 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