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
   -1.5910   -0.1170   -0.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1113   -0.0785   -0.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5606   -0.1931   -1.4634 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5652    0.0856    0.8774 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8574    0.1243    1.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0073   -1.0680   -0.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9101    0.1031   -1.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0683    0.6876    0.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0589    0.1789    1.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2954    0.2475    1.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4682    0.0295    0.1351 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