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
   -2.2193    0.1089    0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9326   -0.5468   -0.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    0.2477    0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0873    1.3504    0.7301 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5798   -0.2645   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6830    0.4103    0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1490    0.8157    0.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9829   -0.6608    0.4425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6325    0.6257   -0.7448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8294   -1.5383    0.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8579   -0.7381   -1.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7159   -1.2188   -0.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6712    0.0358   -0.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6113    1.3728    0.6891 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