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
   -2.0092   -0.0850    0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7967   -0.8895    0.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3541    0.0502    0.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4129    0.8955    1.4374 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3322    0.0025   -0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3341    0.8410   -0.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483   -0.6067    0.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8452    0.1867   -1.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9451    0.8891    0.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9707   -1.1487    1.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6337   -1.7726   -0.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2294   -0.7293   -1.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    1.5649    0.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    0.8021   -1.3608 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