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
   -1.9713    0.5691   -0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0815   -0.5115    0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2795   -0.4626   -0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4362   -0.8767   -1.4750 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4228    0.0451    0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140    0.0750   -0.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9179    0.1587   -0.6106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5159    1.1706   -1.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2291    1.2448    0.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5555   -1.4985    0.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9676   -0.4751    1.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2558    0.4046    1.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7316   -0.2824   -1.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    0.4388    0.3819 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