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
   -3.3415   -0.2362    0.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3784   -0.4710   -0.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1451    0.3764   -0.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0061   -0.4143   -0.1425 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2179    0.2229   -0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2912    1.4725   -0.1729 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4420   -0.5270    0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6050    0.0660    0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2615    0.5466    1.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2407   -0.8450    0.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4858   -1.2538   -1.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2639    1.1742    0.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9820    0.8504   -1.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3860   -1.6099    0.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6577    1.1278    0.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5051   -0.4797    0.4674 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