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
   -1.6638    1.0141    0.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0316   -0.3135    0.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8515   -1.3426    0.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2937   -0.5731    0.1041 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3285    0.3180    0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0514    1.5213    0.0843 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7066   -0.2149   -0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0909    1.7358    0.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6648    0.9568    0.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8410    1.4708   -0.6430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4213   -2.3370    0.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9243   -1.2596    0.4292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3891    0.4091    0.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7661   -1.2665    0.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9538   -0.1186   -1.2230 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