Monomers

Methyl vinyl ketone

Identifiers

IUPAC name
but-3-en-2-one
InchI
InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3
InchI Key
FUSUHKVFWTUUBE-UHFFFAOYSA-N
SMILES
CC(=O)C=C
Canonical SMILES
CC(=O)C=C
Isomeric SMILES
CC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6O
Heavy Atom Count
5
Molecular Weight
70.091
Exact Molecular Weight
70.0419
Valence Electrons
28
Radical Electrons
0
tPSA
17.07
MolLogP
0.7614
H Bond Acceptors
1
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

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2363   -0.4189    0.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6306    0.4450   -0.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3991    1.0960   -1.2769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8049    0.5379   -0.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5863   -0.1456    0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6822   -0.2630    1.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162   -1.4700    0.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2745   -0.0909    0.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2035    1.1738   -1.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6480   -0.0768    0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1963   -0.7875    0.8834 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  2  3
  1  6  1  0
  1  7  1  0
  1  8  1  0
  4  9  1  0
  5 10  1  0
  5 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers