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
   -2.2080    0.2435   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9527   -0.5016    0.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2723    0.2360   -0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2133    1.3907   -0.5171 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5602   -0.3949    0.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6884    0.2767   -0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2978    1.1773    0.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2271    0.5298   -1.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0651   -0.4421    0.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9433   -1.4459   -0.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9687   -0.7469    1.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6260   -1.3876    0.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325   -0.1928    0.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6700    1.2577   -0.4707 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