Monomers

Ethyl vinyl ketone

Identifiers

IUPAC name
pent-1-en-3-one
InchI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
InchI Key
JLIDVCMBCGBIEY-UHFFFAOYSA-N
SMILES
CCC(=O)C=C
Canonical SMILES
CCC(=O)C=C
Isomeric SMILES
CCC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O
Heavy Atom Count
6
Molecular Weight
84.118
Exact Molecular Weight
84.0575
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
1.1515
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

 14 13  0  0  0  0  0  0  0  0999 V2000
   -2.0509    0.3039    0.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0223   -0.3448   -0.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.2674   -0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3762    1.5133   -0.1887 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4421   -0.5447    0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5573    0.0508    0.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6408    0.3051    1.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9468   -0.3697    0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    1.3172   -0.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2072   -0.0089   -1.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0008   -1.4325   -0.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3785   -1.6224    0.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4160   -0.5474    0.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6733    1.1127    0.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  5 12  1  0
  6 13  1  0
  6 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers