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
    1.6625    0.0113   -0.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3843   -0.3320    0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3139   -1.1759    1.2047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8203    0.3348   -0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9601    0.0385    0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2512   -0.9262   -0.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4563    0.4561   -1.3914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2925    0.6924    0.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7576    1.0681   -0.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9619   -0.6890    1.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8608    0.5218    0.1296 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