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
    2.5795    0.6386    0.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4990   -0.3130    0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7984   -1.4906   -0.2293 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1668    0.0788    0.1253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7979   -0.8784   -0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1714   -0.3632   -0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4514    0.8700    0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5655    1.5617   -0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5267    0.8960    1.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5587    0.1654    0.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6543   -1.8301    0.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5697   -1.1250   -1.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9778   -1.0134   -0.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6152    1.5272    0.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4568    1.2762    0.1870 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