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
   -2.0600    0.3626    0.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5718    0.4178    0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0903   -0.7747    0.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5555   -1.7277    1.2083 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5410   -0.8525    0.6909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276    0.1485    0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4606    0.6132   -0.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4859    1.1431    0.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4563   -0.6400    0.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2389    1.3102    0.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1936    0.5452   -0.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0873   -1.6995    1.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.0206   -0.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3157    0.1333    0.1291 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