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
    1.1559    2.0179    2.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4159    1.0308    1.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0055   -0.3049    1.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8421   -0.5954   -0.1001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3858   -0.7090   -0.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3964   -0.5457    0.0130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5270   -1.0156   -2.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7482   -1.1075   -2.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6777    2.9670    2.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1889    1.8929    2.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6376    1.1593    1.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0889   -0.2956    1.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5342   -1.0423    1.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3272   -1.1577   -2.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9177   -1.3272   -3.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6236   -0.9670   -2.0305 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