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
    2.2070   -0.2673   -0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229   -0.6735    0.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2165    0.2505   -0.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1032    1.2649   -0.8283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6149    0.0204    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5794    0.8381   -0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7076    0.1533    0.7961 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2401    0.4961   -0.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8235   -1.1486   -0.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6415   -1.7237   -0.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7216   -0.7575    1.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9114   -0.8509    0.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6201    0.6602   -0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    1.7380   -0.8516 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