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
    3.4666    0.0778    0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0211    0.4776    0.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980    1.6181    0.5962 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9988   -0.4004   -0.1440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    0.0088   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2994   -1.0396   -0.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9511   -2.1750   -0.8027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7193   -0.7332   -0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1674    0.4325    0.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8281   -0.4031    0.9581 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286   -0.5204   -0.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0320    1.0467   -0.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5867    0.3753    1.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5184    0.8833   -0.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4739   -1.4789   -0.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2205    0.6585    0.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3990    1.1720    0.4086 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