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
   -2.1806    0.2185   -0.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9477   -0.1791    0.6661 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2359    0.0557   -0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0997    0.5206   -1.3835 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5893   -0.2352    0.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6363   -0.0260   -0.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4651   -0.5995   -0.7945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8867    1.0825   -0.7625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9819    0.5107    0.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0042   -1.2573    0.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8961    0.4236    1.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7085   -0.6319    1.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6210   -0.2496   -0.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4715    0.3669   -1.4910 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