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
    1.8167    2.2376   -0.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2734    0.8598   -0.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0007    0.0085   -1.3552 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0511    0.4681   -0.3152 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4438   -0.8664   -0.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7834   -1.0111    0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9566   -1.8787    1.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5385    2.8841   -1.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9391    2.2321   -0.6199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4391    2.6323    0.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2797   -1.5095    0.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4469   -1.1968   -1.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6193   -0.4056   -0.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9477   -1.9756    1.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1405   -2.4788    1.5157 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