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
   -2.1500    0.3332    0.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517   -0.5860    0.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2291    0.1740    0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1346    1.3936   -0.2201 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5376   -0.4507   -0.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5961    0.2171   -0.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8971    1.1834    1.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2697    0.7720   -0.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0494   -0.1487    0.9737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1877   -1.3812   -0.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7367   -1.0015    1.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6521   -1.5023    0.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5384    1.2646   -0.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544   -0.2675   -0.6110 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