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
   -1.6948   -0.1174    0.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4127   -0.0438   -0.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4117   -0.0683   -1.6975 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8082    0.0553    0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9881    0.1250   -0.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7356    0.6878    1.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5347    0.0988   -0.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7572   -1.1209    0.7342 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7807    0.0751    1.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0716    0.1096   -1.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8981    0.1987    0.3248 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