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
   -2.1975    0.0314   -0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8545    0.5812   -0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534   -0.1545    0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0170   -1.1151    0.9148 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6342    0.2121   -0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6109   -0.4574    0.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9659    0.6785   -0.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3727   -0.9887   -0.5045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3700    0.0643    0.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8471    1.6587   -0.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7614    0.5692   -1.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8573    1.0460   -0.7041 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3819   -1.2899    1.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6486   -0.1979    0.3799 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