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
   -1.7195   -0.0293    0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    0.0154   -0.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1358    0.0761   -1.6928 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7939   -0.0120    0.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0039    0.0279   -0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8452    0.6963    0.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4280    0.2469   -0.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9522   -1.0440    0.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6267   -0.0648    1.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1590    0.0795   -1.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8472    0.0080    0.5776 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