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
   -1.7062    0.3216   -0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3804   -0.1125    0.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3116   -0.6258    1.5331 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8403    0.0180   -0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0177   -0.3676    0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2962   -0.4946   -0.5344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6617    1.1677   -0.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2852    0.6901    0.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7485    0.4612   -1.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8812   -0.2415   -0.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1538   -0.8166    1.0045 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