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
   -1.7197    0.0060   -0.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3279   -0.4187   -0.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0943   -1.4566    0.3538 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7766    0.3866   -0.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0316    0.0489   -0.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7937    0.8938   -1.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3218   -0.8532   -0.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1832    0.2988    0.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5493    1.2888   -1.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8219    0.6444   -1.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2613   -0.8389   -0.1148 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