Monomers

Allyl acetate

Identifiers

IUPAC name
prop-2-enyl acetate
InchI
InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3
InchI Key
FWZUNOYOVVKUNF-UHFFFAOYSA-N
SMILES
CC(=O)OCC=C
Canonical SMILES
CC(=O)OCC=C
Isomeric SMILES
CC(=O)OCC=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
26.3
MolLogP
0.7355
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

 15 14  0  0  0  0  0  0  0  0999 V2000
    2.7690    0.0552   -0.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3674   -0.3468   -0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9171   -1.4822   -0.3574 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149    0.5069    0.6224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7839    0.1099    0.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -0.2366   -0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7411    0.4167   -0.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9179    0.0083   -1.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4844   -0.6667    0.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9777    1.0533   -0.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917   -0.7437    1.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2529    0.9579    1.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3452   -1.0348   -0.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0350    1.2188    0.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3782    0.1839   -1.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  1  8  1  0
  1  9  1  0
  1 10  1  0
  5 11  1  0
  5 12  1  0
  6 13  1  0
  7 14  1  0
  7 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers