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
   -1.7381   -0.0996    0.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3262    0.1872    0.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1496    0.7952    1.4900 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7949   -0.2039   -0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0288    0.0804   -0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410    0.8892   -0.0886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8094   -0.6651   -0.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1914   -0.6394    0.8779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5816   -0.7195   -1.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8428   -0.2214   -0.7233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2076    0.5969    0.8540 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