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
   -2.1753    0.2418    0.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -0.5363    0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2843    0.2627   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2280    1.4787    0.2780 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5331   -0.4020   -0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655    0.3031   -0.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4992    0.8541   -0.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0531    0.8701    1.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0017   -0.4704    0.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8047   -1.4389    0.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0926   -0.9172   -1.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5937   -1.4529   -0.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6745    1.3553   -0.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6102   -0.1482   -0.5916 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