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
   -1.2167   -0.4692   -0.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    0.5578    0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3885    1.3558    1.0358 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7805    0.6331    0.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5567   -0.2005   -0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0918   -1.4781   -0.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2863   -0.2209   -0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7006   -0.4621   -1.4494 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    1.3715    1.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6396   -0.1358    0.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1334   -0.9516   -0.7116 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