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
   -2.1453    0.2151    0.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9704   -0.5415   -0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2847    0.2209    0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2890    1.3659    0.5076 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5143   -0.3466   -0.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6622    0.3111   -0.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2215    1.2375    0.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0687   -0.3350    0.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1059    0.2816    1.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448   -1.4649    0.5444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1727   -0.7728   -1.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4896   -1.3370   -0.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7305    1.2998   -0.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5592   -0.1340   -0.8160 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