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
    3.3778    0.3667    0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2737    0.8184   -0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1584   -0.0757   -0.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0152    0.3146    0.0930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2217   -0.3430   -0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414   -1.3063   -0.8741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4019    0.0906    0.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5747   -0.5027    0.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1677    1.0252    0.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5022   -0.6882    0.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1551    1.8775   -0.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9444    0.1548   -1.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3805   -1.1370   -0.4792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3289    0.9275    1.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4395   -0.1703    1.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7365   -1.3521   -0.1217 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