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
    1.9566    0.1915   -0.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0780   -0.0283    0.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2397   -0.5134    0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3806   -1.7445   -0.1795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4124    0.3429    0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5831   -0.1159   -0.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9928   -0.6560   -1.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5210    1.0787   -1.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9929    0.4628   -0.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648    0.9485    1.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -0.7539    1.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2795    1.3806    0.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7527   -1.1426   -0.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4205    0.5497   -0.4315 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