Monomers

Allyl acrylate

Identifiers

IUPAC name
prop-2-enyl prop-2-enoate
InchI
InChI=1S/C6H8O2/c1-3-5-8-6(7)4-2/h3-4H,1-2,5H2
InchI Key
QTECDUFMBMSHKR-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C=C
Canonical SMILES
C=CCOC(=O)C=C
Isomeric SMILES
C=CCOC(=O)C=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H8O2
Heavy Atom Count
8
Molecular Weight
112.128
Exact Molecular Weight
112.0524
Valence Electrons
44
Radical Electrons
0
tPSA
26.3
MolLogP
0.9016
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

 16 15  0  0  0  0  0  0  0  0999 V2000
   -3.0646    0.6354   -0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9384    0.5284   -0.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9923   -0.6222   -0.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2339   -0.0528   -0.2882 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2887   -0.9087   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0979   -2.1291   -0.1787 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5830   -0.3769    0.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7780    0.9154    0.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7213    1.4579   -0.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2834   -0.1602    0.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7024    1.2992   -1.6313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9126   -1.1220   -1.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4416   -1.2777    0.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3716   -1.0636    0.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9644    1.5874    0.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7391    1.2895    0.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  1  9  1  0
  1 10  1  0
  2 11  1  0
  3 12  1  0
  3 13  1  0
  7 14  1  0
  8 15  1  0
  8 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers