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
   -2.0787    0.3917   -0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5648    0.4497   -0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0884   -0.7446    0.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5985   -1.6425    0.8717 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5251   -0.8368    0.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2871    0.1135   -0.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4316    1.4512   -0.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5342   -0.2008   -0.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4111   -0.0282    0.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3378    0.4874   -1.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1410    1.3387    0.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9770   -1.7427    0.7435 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8751    1.0006   -0.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3449   -0.0371   -0.2148 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