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
   -1.7785    1.1883   -0.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0804   -0.1028   -0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6403   -1.2251   -0.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1584   -0.2020    0.5335 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2854   -0.1163   -0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1290    0.0475   -1.4881 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6631   -0.2101    0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4344    1.1434   -1.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    2.0406   -0.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4518    1.3897    0.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6057   -1.1996   -0.9824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1751   -2.1902   -0.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613   -1.0655    1.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8455    0.7552    0.8473 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3939   -0.2531   -0.5096 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