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
   -1.6712   -0.4554    0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1984   -0.5652    0.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2900   -1.7288    0.1985 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6139    0.6312    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414    0.5734   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1642   -1.4270    0.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8534    0.1642    1.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0361    0.1413   -0.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1408    1.5985    0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4145   -0.4110   -0.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5226    1.4789   -0.0756 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