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
   -2.2182   -0.0570    0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8745   -0.6454   -0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2366    0.3008    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0587    1.4853    0.4308 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6022   -0.1547   -0.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6390    0.6441    0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3342    0.1731    1.1847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4152    0.8772   -0.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9882   -0.8050   -0.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7289   -1.5076    0.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8674   -1.0721   -1.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8018   -1.1850   -0.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6454    0.2906   -0.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4430    1.6558    0.3347 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