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
   -1.6652    0.1076    0.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4050    0.1101   -0.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3765    0.3156   -1.6315 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8353   -0.1341    0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9700   -0.1329   -0.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3648    0.8758   -0.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1717   -0.8778    0.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5221    0.3220    1.4164 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8517   -0.3202    1.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8924   -0.3144    0.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9560    0.0485   -1.4184 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