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
   -1.9550   -0.7203    0.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0033    0.0841   -0.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3677    1.1607   -1.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3113   -0.3528   -0.5235 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2129    0.1152    0.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8057    0.9347    1.3045 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6183   -0.3654    0.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0139   -0.5283    0.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7126   -1.7898    0.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7784   -0.4252    1.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3938    1.4970   -1.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138    1.6853   -1.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7892   -1.2022    1.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8501   -0.6078   -0.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2509    0.5150    0.6678 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