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
   -2.0486    0.2029    0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7633    0.7239    0.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4086    0.4397   -0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6594    1.1752   -1.1291 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3436   -0.6522    0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3903   -0.8872   -0.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5883   -0.4704    0.8321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7730    1.0225   -0.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8743   -0.4159   -0.7963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8773    1.8371    0.7815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6379    0.2793    1.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1176   -1.2762    0.9909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0360   -1.7050   -0.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6072   -0.2736   -1.4726 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