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
   -1.9520    0.1533    0.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6281   -0.6035    0.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0668   -0.1340   -0.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5840   -0.0992   -1.9072 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4705    0.2926   -0.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120    0.2863    0.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4916   -0.1400    1.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6854    1.2429    0.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4934   -0.0195   -0.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0600   -0.5271    1.3017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9401   -1.6816    0.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9376    0.6244   -1.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8946   -0.0153    1.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2532    0.6208    0.1631 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