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
    1.7146    0.0491   -0.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4011   -0.0766    0.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3242   -0.3301    1.6131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8641    0.0829   -0.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0233   -0.0315    0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195   -0.6186    0.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7054   -0.3125   -1.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1007    1.0869   -0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7926    0.3024   -1.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9164    0.0949   -0.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690   -0.2470    1.3223 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