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
   -1.3016    0.5820   -0.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5605   -0.6827   -0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2163   -1.7428   -0.2866 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8687   -0.7873    0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6270    0.2795    0.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1004    0.4672   -1.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8839    0.7556    0.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6761    1.4575   -0.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3430   -1.7563    0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2175    1.2846    0.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6825    0.1427    0.4918 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