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
   -1.8707   -0.2508    0.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1267    0.1950   -0.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2502    0.5603    0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4527    1.6779    0.5799 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3462   -0.3495   -0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5758   -0.0310    0.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9675   -0.1884    0.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5616    0.3975    1.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5999   -1.3189    1.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6883    1.0511   -0.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1508   -0.6500   -1.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1558   -1.3133   -0.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3963   -0.7088    0.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7886    0.9291    0.6399 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