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
   -1.4580   -0.0520    0.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0948    0.3107    0.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6347    1.1353    1.0936 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586   -0.2829   -0.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6590    0.0106   -1.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7069   -1.1097    0.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4633    0.0360    2.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2344    0.6507    0.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1271   -0.9980   -1.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2561    0.7201   -0.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0760   -0.4210   -2.0728 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