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
   -2.8097    0.4831    0.4895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6043   -0.2587    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7209   -1.3590   -0.4953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3422    0.2415    0.3828 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7535   -0.5356   -0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0613    0.0658    0.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8897    0.3439   -0.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6262    0.2534   -0.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1587    0.2567    1.5189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5918    1.5840    0.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6747   -1.5434    0.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6623   -0.7327   -1.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3317    0.2748    1.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375    0.1459   -1.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8430    0.7805   -0.4443 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