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
   -3.2438    0.6716   -0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8782    0.1393   -0.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5042   -0.5428   -1.1798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9485    0.4153    0.7977 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3731   -0.0207    0.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0339    0.5309   -0.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4046    1.2715   -1.2582 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.1992   -0.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0993   -0.5684    0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9262    0.4561   -0.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6187    0.2792    0.9701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2377    1.7914    0.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8920    0.3893    1.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4768   -1.1257    0.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9206    0.5880   -1.5505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1445   -0.8001   -0.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5879   -0.9559    1.0240 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