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
    1.6705    0.1729    0.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2798   -0.3519    0.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0477   -1.4308    1.0625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7337    0.3408   -0.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9570   -0.1213   -0.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1338   -0.1553    1.5098 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7082    1.2762    0.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588   -0.3474   -0.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4905    1.2596   -0.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1959   -1.0431    0.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7217    0.4003   -0.9859 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