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
   -1.7253    0.2428   -0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3597   -0.3176   -0.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1903   -1.3124   -1.0561 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8026    0.2753    0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9825   -0.2371    0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0851    0.7623   -0.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3715   -0.6017    0.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6829    0.9440    0.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6718    1.1265    0.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8361    0.2014    0.5815 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1218   -1.0833   -0.5279 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