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
   -1.6488    0.5731   -0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2595    0.2820    0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1004    0.7366    1.2030 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6935   -0.4670   -0.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9101   -0.6893   -0.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8701    1.6513   -0.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8603    0.2863   -1.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3135    0.0028    0.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3752   -0.8427   -1.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2111   -0.2898    0.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6617   -1.2435   -0.8263 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