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
   -1.3043   -0.4983    0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5849    0.7700   -0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1599    1.8388   -0.5524 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8585    0.7416   -0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5358   -0.3473    0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8012   -1.2951   -0.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3814   -0.4207   -0.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1885   -0.7915    1.1345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4015    1.6475   -0.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0109   -1.2814    0.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6133   -0.3637    0.2506 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