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
    1.3359   -0.0949    0.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4689    0.0311   -0.8274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8989    0.0784   -2.0070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9687    0.1081   -0.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4614    0.0619    0.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1155    0.6360    1.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4071   -0.0080    0.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1900   -1.1035    0.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6456    0.2024   -1.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8058   -0.0300    1.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5348    0.1186    0.6899 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