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
   -1.8947    1.0527    0.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8376    0.0126    0.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2386    0.0630   -0.4943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770    0.9133   -1.4070 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -0.8767   -0.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -0.9017   -1.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4978    1.9152   -0.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3479    1.4197    1.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6983    0.6065   -0.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4082    0.2296    1.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2756   -1.0134    0.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3793   -1.6125    0.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1281   -1.6067   -1.1804 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3496   -0.2017   -2.0828 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