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
   -2.0719    0.4137    0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5962    0.3934   -0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1063   -0.6376    0.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5830   -1.3430    1.3687 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5448   -0.7822    0.4521 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2657   -0.0325   -0.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4997    1.2635   -0.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1961    0.6454    1.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5335   -0.5563   -0.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3476    0.2105   -1.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1646    1.3844    0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0406   -1.5357    1.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3213   -0.1412   -0.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7139    0.7176   -0.9372 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