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
   -2.0806   -0.1412   -0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6169   -0.3983    0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1836    0.8321    0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3547    1.9624    0.1154 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6145    0.7475    0.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2305   -0.4142    0.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6101   -1.1142   -0.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3164    0.2955   -1.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4885    0.4791    0.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2760   -1.0296   -0.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4712   -1.0114    1.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1946    1.6471    0.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6904   -1.3589    0.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3006   -0.4958    0.6053 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