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
   -1.3692   -0.3836    0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4844    0.7915   -0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0679    1.9026   -0.1285 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517    0.6784   -0.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5640   -0.4835   -0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9158   -1.1376    0.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3635   -0.0964    0.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4844   -0.8516   -0.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692    1.5516   -0.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9682   -1.3679    0.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6320   -0.6037   -0.1223 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