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
   -1.3529   -0.3236    0.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4057    0.7921    0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8768    1.9512    0.2772 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9722    0.5935   -0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5256   -0.5891   -0.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -1.2834   -0.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250   -0.0273   -0.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5803   -0.4049    1.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5783    1.4659   -0.4371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9585   -1.5141   -0.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5501   -0.6604   -0.7388 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