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
    1.7218   -0.1949    0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2688   -0.4121    0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1145   -1.4623   -0.5504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7317    0.5090    0.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0166    0.2745    0.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0356   -0.5477    1.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2845   -0.7818   -0.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0003    0.8788    0.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3524    1.4116    1.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7651    0.9494    0.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3307   -0.6246   -0.1048 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