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
    2.8615    0.2600   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5841   -0.4319   -0.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4814   -1.4841   -0.9759 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3912    0.0640    0.2121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8380   -0.5783   -0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8889    0.2048    0.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8796    0.7251   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1896    0.7999   -0.9571 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6060   -0.4953    0.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7391    0.9863    0.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7587   -1.6136    0.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0681   -0.6624   -1.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8397    0.3483    1.7212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6617    1.3037    0.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9183    0.5735   -1.0908 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