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
    2.8806    1.2618    0.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8383    0.7499   -0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4395   -0.6434   -0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1518   -0.8354    0.4257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0130   -0.4028   -0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9568    0.2309   -1.2166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2845   -0.6769    0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4255   -0.2653   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4673    0.6359    1.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1421    2.2922    0.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2612    1.3913   -0.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4784   -1.1534   -1.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1531   -1.2106    0.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3493   -1.2200    1.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3839   -0.4377    0.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3993    0.2837   -0.9412 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