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
   -1.7295   -0.0236   -0.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3277    0.4624   -0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1304    1.7006   -0.1884 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7693   -0.4725    0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.0238    0.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2788    0.2444    0.7298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2485    0.3989   -1.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7054   -1.1126   -0.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5675   -1.5265    0.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8493   -0.6782    0.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2299    1.0310    0.1533 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