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
    2.6799    1.0303    0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8123   -0.1435   -0.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050   -1.2041   -0.4774 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4487   -0.1317   -0.0675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3160   -1.2669   -0.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7678   -1.1226   -0.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4834   -2.1642   -0.4622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4463    0.0743    0.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9405    1.2389    0.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5186    0.6502    0.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1351    1.8404    0.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0405    1.3858   -0.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0426   -1.5632   -1.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0679   -2.1412    0.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5662    0.0021    0.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9040    1.4650    0.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6412    2.0504    0.7152 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