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
   -1.2702    0.4835   -0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5684   -0.1956    0.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1667   -0.5193    1.8387 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8490   -0.4884    0.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4887   -0.1661   -0.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1463   -0.1557   -1.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7064    1.4164   -0.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3372    0.6662   -0.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3793   -0.9845    1.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9312    0.3325   -1.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5470   -0.3891   -0.5889 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