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
    1.3312    0.0970    0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4813   -0.6926   -0.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0036   -1.6714   -0.8892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9104   -0.3935   -0.5795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5498    0.6227   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0006    1.1497    0.6535 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3506   -0.3496    1.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3887    0.1383    0.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4744   -1.0061   -1.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0365    1.2732    0.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5851    0.8323   -0.2246 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