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
    1.6552   -0.4810   -0.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8196    0.6054    0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3870    0.9652   -0.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3697    1.9420   -1.1320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6240    0.2288   -0.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7602   -0.8270    0.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4455   -0.0425   -0.8714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0778   -1.2262   -0.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2038   -0.9896    0.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5429    0.3786    1.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5280    1.4866    0.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5345    0.5137   -0.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6786   -1.3828    0.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9188   -1.1715    1.1546 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