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
    2.9774    0.4013   -0.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0377   -0.5618    0.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3869   -1.5679    1.0195 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6863   -0.3058    0.1872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3425   -1.0953    0.7042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320   -0.5011    0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6798   -1.0789    0.6893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7776    0.7066   -0.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9407    1.2118   -0.8165 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9824   -0.0567   -0.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9950    1.2960    0.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.7102   -1.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2396   -2.1558    0.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2754   -1.0475    1.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8784    1.2057   -0.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8493    0.7323   -0.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0062    2.1068   -1.4047 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