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
   -1.7190    0.1338    0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2579    0.3242    0.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1869    1.1770    1.1455 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7059   -0.4256   -0.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9966   -0.1990   -0.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1587    1.1475    0.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1522   -0.1943    1.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -0.5539   -0.5616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3627   -1.1807   -1.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6972   -0.7643   -0.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3469    0.5353    0.3774 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