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
    0.7784   -1.0424    0.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6528    0.4150    0.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4836    1.1204    1.1048 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3947    1.0775   -0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2922    0.4027   -0.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8537   -1.3319    0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2407   -1.4591    1.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4413   -1.5916   -0.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4463    2.1557   -0.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2734   -0.6645   -0.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0438    0.9182   -1.5026 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