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
   -1.7243    0.0244    0.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2737   -0.0329    0.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1272   -0.1063    1.9037 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798   -0.0049   -0.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9945   -0.0561   -0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0547    1.0581    0.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3110   -0.7003    1.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9406   -0.0827   -0.6252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3892    0.0587   -1.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7314   -0.0371   -0.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3822   -0.1209    0.8910 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