Monomers

Acetoxymethyl vinyl ketone

Identifiers

IUPAC name
2-oxobut-3-enyl acetate
InchI
InChI=1S/C6H8O3/c1-3-6(8)4-9-5(2)7/h3H,1,4H2,2H3
InchI Key
GZNCCNHJQSRXNU-UHFFFAOYSA-N
SMILES
CC(=O)OCC(=O)C=C
Canonical SMILES
CC(=O)OCC(=O)C=C
Isomeric SMILES
CC(=O)OCC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H8O3
Heavy Atom Count
9
Molecular Weight
128.127
Exact Molecular Weight
128.0473
Valence Electrons
50
Radical Electrons
0
tPSA
43.37
MolLogP
0.3046
H Bond Acceptors
3
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

 17 16  0  0  0  0  0  0  0  0999 V2000
    3.3486   -0.1240    0.7684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9990    0.0734    0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6683    1.1260   -0.4233 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0831   -0.9326    0.1904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1996   -0.9327   -0.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1327    0.0499    0.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8047    0.8807    1.0172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4864    0.0938   -0.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3840    0.9799    0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3199   -0.9013    1.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0427   -0.3751   -0.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591    0.8260    1.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6358   -1.9568   -0.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1044   -0.9034   -1.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8374   -0.6199   -1.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3832    0.9895   -0.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1527    1.7267    0.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  3
  1 10  1  0
  1 11  1  0
  1 12  1  0
  5 13  1  0
  5 14  1  0
  8 15  1  0
  9 16  1  0
  9 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers