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
   -1.9500    0.1986    0.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9927   -0.5421   -0.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3884   -0.6316    0.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7751   -1.7006    0.6496 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3026    0.4986    0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5294    0.4048    0.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1105    1.2621    0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9420   -0.3272    0.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6468    0.2646    1.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9435   -0.0050   -1.4001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3902   -1.5625   -0.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9222    1.4121   -0.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8543   -0.5078    0.9228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2037    1.2361    0.4131 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