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
   -2.0368   -0.6341   -0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1061    0.3288    0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828   -0.0761   -0.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4743   -1.0875   -0.8504 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4415    0.6253    0.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340    0.2074    0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -1.6562   -0.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0734   -0.3955   -0.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8356   -0.5769   -1.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3536    0.3326    1.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2681    1.3732   -0.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2969    1.4832    0.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8035   -0.6580   -0.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4906    0.7336    0.4760 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