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
    1.3201    0.3778   -0.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4155   -0.0369    0.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8347   -0.1178    2.0322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9589   -0.3538    0.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3788   -0.2567   -0.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3230    0.5975    0.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3655   -0.3859   -1.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8607    1.2796   -0.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6585   -0.6663    1.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7210    0.0481   -1.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4023   -0.4857   -0.9279 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