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
    1.7038    0.2196   -0.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2874    0.4885   -0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0033    1.6568    0.2009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7037   -0.5490   -0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9624   -0.3074    0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3626    1.0638   -0.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0149   -0.7238   -0.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7342    0.1027   -1.6355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4284   -1.5490   -0.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7236   -1.0734    0.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2814    0.6712    0.4222 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