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
   -2.1443    0.4286    0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0274   -0.5880    0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2653    0.1770    0.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706    1.4275    0.3200 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5382   -0.5049    0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6639    0.1642    0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0844    0.0647   -0.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2754    0.6724    1.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7648    1.3583   -0.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0610   -1.1682   -0.8984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1497   -1.2942    0.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5394   -1.5923   -0.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5911   -0.3797    0.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6385    1.2347    0.3725 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