Monomers

Isopropenyl acetate

Identifiers

IUPAC name
prop-1-en-2-yl acetate
InchI
InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3
InchI Key
HETCEOQFVDFGSY-UHFFFAOYSA-N
SMILES
CC(=C)OC(=O)C
Canonical SMILES
CC(=C)OC(=O)C
Isomeric SMILES
CC(=C)OC(=O)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
1.0831
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
   -1.9347   -0.4855   -0.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0683   -0.0067    0.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4885    0.8768    1.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2431   -0.5114    0.3302 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2791    0.1289   -0.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9867    1.1515   -0.9971 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6877   -0.3824   -0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3028   -0.7313   -1.7385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4998   -1.4097   -0.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6785    0.3211   -1.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8622    1.2326    1.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4871    1.2597    1.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6657   -1.4677   -0.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2246   -0.1315   -1.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2350    0.1555    0.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  3 11  1  0
  3 12  1  0
  7 13  1  0
  7 14  1  0
  7 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers