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
   -2.7816   -0.3571   -0.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7953   -0.1779    0.7474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0151    1.0687    0.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3614    0.8721    0.5113 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8462    0.2990   -0.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448   -0.0406   -1.5047 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2564    0.0956   -0.9123 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1397    0.4577   -0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0274    0.4209   -0.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3758   -1.2623   -0.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5589   -0.9559    1.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1226    1.5245    1.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4631    1.8129    0.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5682   -0.3522   -1.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8011    0.9062    0.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2114    0.3210   -0.1733 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