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
    1.5399   -0.3630   -0.6666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8497    0.3596    0.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2929   -0.3781    1.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1450   -1.1356    2.0028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5989   -0.2451    0.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828    0.5287   -0.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0545   -0.1087   -1.6243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5824    0.0549   -0.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6429   -1.4479   -0.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.3930    0.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6348    0.4445    1.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4281   -0.7917    0.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9493    1.0765   -1.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7610    0.6129   -1.0444 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