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
   -1.7540    0.0254    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3129    0.2406    0.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0195    0.8493    1.4316 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7478   -0.2592   -0.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9948   -0.0353   -0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2991    0.9966    0.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2146   -0.6020    0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7692   -0.5187   -0.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5487   -0.8009   -1.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8303   -0.3924   -0.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    0.4966    0.8167 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