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
   -1.9356    0.2676    0.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1017   -0.1283   -0.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2906    0.3312   -0.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5836    1.5267   -0.7352 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3658   -0.5541   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6144   -0.1367    0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8742   -0.6170    1.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9994    0.4370    0.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5648    1.1963    1.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1877   -1.2159   -0.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6075    0.3844   -1.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1089   -1.5788    0.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8950    0.8842   -0.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4126   -0.7965    0.3419 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