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
    2.0309   -0.0774    0.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621    0.5942   -0.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2968   -0.1565   -0.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3617   -1.1524   -1.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4682    0.1869    0.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5707   -0.5261    0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3576   -1.0398    0.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9052    0.6275    0.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7262   -0.1864    1.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3905    0.7375   -1.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8002    1.6116    0.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4518    1.0280    1.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4232   -0.2580    0.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6004   -1.3891   -0.2954 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