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
   -1.9526   -0.8227   -0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0340    0.2614    0.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3788    1.5222    0.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2512   -0.0851    0.7366 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2175   -0.0736   -0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9083    0.2358   -1.4737 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6153   -0.4177   -0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1789   -1.4392    0.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8539   -0.3052   -0.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4597   -1.4177   -0.9094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7154    2.2789    0.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3822    1.8066    0.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7421   -0.5454    1.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3048    0.3946   -0.3507 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9163   -1.3930   -0.4712 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