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
   -2.0494    0.3116   -0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9860   -0.7661   -0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345   -0.2254   -0.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5664    0.0392   -1.7347 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3981    0.0225    0.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5738    0.5036    0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6185    1.2678    0.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6396    0.4112   -0.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7755   -0.0158    0.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3078   -1.4355   -0.9822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8672   -1.3388    0.7755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2176   -0.1975    1.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3677    0.6893    0.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7860    0.7339   -0.9544 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