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
   -1.8483    0.9895    0.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1140   -0.1466   -0.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5721   -0.8652   -1.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1437   -0.5516    0.2735 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241   -0.0118   -0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1616    0.8373   -1.1662 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6656   -0.3931    0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3699    1.9651    0.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0693    0.8389    1.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8415    1.0257   -0.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0484   -1.6995   -1.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5551   -0.5626   -1.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6752   -0.6819    1.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3349    0.4913    0.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1135   -1.2355   -0.3376 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