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
   -1.9262    0.0378    0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8682    0.0235   -1.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4491    0.4237   -0.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9762    1.4896   -0.9252 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1814   -0.4472    0.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3710   -0.1071    0.8393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8751   -0.2630   -0.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6559   -0.7416    0.8191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9503    1.0473    0.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2126    0.7706   -1.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9291   -0.9683   -1.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7296   -1.3948    0.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9237   -0.7024    1.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7865    0.8319    0.4969 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