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
   -2.1562    0.3632   -0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9837   -0.5490   -0.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2393    0.1425    0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1785    1.3262    0.6214 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5609   -0.4583    0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6509    0.1528    0.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5865    0.1984    0.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9563    0.1956   -0.8764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8663    1.4210   -0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8467   -0.7179   -1.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414   -1.5009    0.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6436   -1.4545   -0.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6280    1.1706    0.9204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360   -0.2897    0.4698 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