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
   -1.2489   -0.5638   -0.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5907    0.7513    0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3217    1.7734    0.1380 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8508    0.8103    0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5505   -0.2963    0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8415   -1.3657    0.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1238   -0.8046   -1.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3408   -0.5115    0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3032    1.7689    0.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6393   -0.2870    0.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1235   -1.2750   -0.0706 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