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
    1.2310   -0.4478    0.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6243    0.7097   -0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2801    1.7105   -0.5357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7993    0.6877   -0.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5346   -0.3398   -0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2895   -0.2974    0.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149   -0.7010    1.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1838   -1.3194   -0.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2544    1.5291   -0.8852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1362   -1.2037    0.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5991   -0.3278   -0.1987 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