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
   -0.4123   -0.9072    2.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4011    0.0047    1.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6733    0.1747    1.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1895    0.6544    0.2410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2200    0.1241   -1.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3190   -1.0038   -1.1944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574    0.8218   -2.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1615   -0.3555    2.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0377   -1.5694    1.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1834   -1.5309    2.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1316   -0.3368    2.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2436    0.8509    0.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9780    0.8041   -2.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5796    1.8946   -2.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5160    0.3743   -3.1313 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