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
   -1.7258    0.2052   -0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2979   -0.0085   -0.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1169   -0.1452   -1.6875 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7752   -0.0475    0.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0008   -0.2342    0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3681   -0.4338   -0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8733   -0.0464    1.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9871    1.2599   -0.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5871    0.0737    1.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1890   -0.3551   -0.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8170   -0.2682    0.8201 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