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
   -1.7326   -1.2088   -0.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3229   -0.7385   -0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2301    0.7379   -0.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2948    1.3842   -0.2856 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0425    1.4534   -0.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1927    0.8395    0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4294   -0.3605    0.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0175   -1.4893   -1.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9660   -2.0701    0.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2581   -1.2206   -0.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1074   -1.0314    0.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0632    2.5385   -0.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1018    1.3972    0.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2274   -0.2314    0.1079 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