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
   -2.1739    0.3550    0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9719   -0.5643    0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    0.1762    0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2014    1.4184   -0.1529 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5848   -0.4730   -0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6692    0.2303   -0.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1602    1.0311   -0.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2295    0.9760    1.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0720   -0.3096    0.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1285   -1.2486   -0.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9651   -1.1379    1.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7119   -1.5472    0.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5945    1.3127   -0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6519   -0.2190   -0.3182 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