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
    2.0688    0.3698   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5760    0.4745   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925   -0.8573    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5619   -1.9329    0.0201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5411   -0.8859    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2589    0.2092   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3564   -0.6228    0.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5133    0.5197   -1.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4728    1.1796    0.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2800    1.0600   -0.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2442    0.9917    0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0373   -1.8309    0.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3429    0.1176   -0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8007    1.2078   -0.0252 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