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
   -1.7331    0.0151   -0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3361   -0.3165   -0.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0467   -1.1147   -1.3035 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7554    0.2789    0.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0089   -0.0100    0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0074   -0.4151    0.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4486   -0.2593   -0.8365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8156    1.1266    0.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5626    0.9748    1.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2237   -0.6975   -0.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8367    0.4176    0.6345 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