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
    1.6675    0.2791   -0.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3467   -0.3902   -0.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2947   -1.6119   -0.5960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8140    0.3508    0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9479   -0.2813    0.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9502    0.2580   -1.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6437    1.3460   -0.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4352   -0.2749    0.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7629    1.4012    0.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0053   -1.3257    0.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8079    0.2489    0.6946 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