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
   -1.7489    0.6157    0.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9944   -0.4201   -0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793   -1.2922   -1.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3847   -0.5318   -0.3609 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2153    0.3170    0.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6360    1.2222    1.0152 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7011    0.1734    0.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8281    0.5814    0.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4063    1.6079   -0.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5543    0.5632    1.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7616   -1.2725   -1.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2044   -2.0790   -1.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0487   -0.6823    0.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1039    1.1397    0.7242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875    0.0574   -0.6943 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