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
   -2.1746    0.3836    0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0055   -0.5395    0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2468    0.1464   -0.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1919    1.3119   -0.5193 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5586   -0.4562    0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6638    0.1779   -0.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7868    1.4169    0.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4991    0.1984   -1.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9878    0.2282    0.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1325   -1.4804   -0.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9357   -0.8062    1.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6104   -1.4739    0.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229   -0.2905   -0.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6275    1.1835   -0.6563 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