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
   -1.3990   -1.1138    0.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1022    0.2385   -0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0922    1.0918   -0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526    0.6946   -0.3917 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2752   -0.0914   -0.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0727   -1.2514    0.1702 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6512    0.4021   -0.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876   -1.2466    0.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9155   -1.3481    1.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1218   -1.8376   -0.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1018    0.7378   -0.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9319    2.1005   -0.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2573   -0.4462   -0.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6260    1.1834   -1.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1170    0.8867    0.3125 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