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
    1.6875   -0.2119    0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3798    0.3547   -0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2779    1.4212   -0.8654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8222   -0.3294    0.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9784    0.1977   -0.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8513   -0.0097    1.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4623    0.2988   -0.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7817   -1.2916   -0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7372   -1.2517    0.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0150    1.1092   -0.7099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8878   -0.2873    0.1279 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