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
   -1.3301   -0.2998    0.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4697    0.8452   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9792    1.9810   -0.2074 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9518    0.6254   -0.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4959   -0.5719   -0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2649    0.0770    0.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5438   -0.9591   -0.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8695   -0.9435    1.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6078    1.4390   -0.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5309   -0.7593   -0.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8707   -1.4340    0.1176 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