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
    2.8280   -0.2126   -0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5786    0.5623    0.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5920    1.6572    0.7713 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3881    0.0132   -0.1988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8842    0.6319    0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8827   -0.2968   -0.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8064   -0.8162    0.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520   -1.2978    0.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6509    0.0798    0.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1354   -0.0672   -1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0369    0.7633    1.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    1.6102   -0.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8308   -0.5273   -1.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5675   -1.5085   -0.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8706   -0.5916    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