Monomers

Hex-5-ene-2,4-dione

Identifiers

IUPAC name
hex-5-ene-2,4-dione
InchI
InChI=1S/C6H8O2/c1-3-6(8)4-5(2)7/h3H,1,4H2,2H3
InchI Key
MSLCOWHBLCTBOW-UHFFFAOYSA-N
SMILES
CC(=O)CC(=O)C=C
Canonical SMILES
CC(=O)CC(=O)C=C
Isomeric SMILES
CC(=O)CC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H8O2
Heavy Atom Count
8
Molecular Weight
112.128
Exact Molecular Weight
112.0524
Valence Electrons
44
Radical Electrons
0
tPSA
34.14
MolLogP
0.7206
H Bond Acceptors
2
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

 16 15  0  0  0  0  0  0  0  0999 V2000
    2.9417   -0.0532   -0.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5434    0.0660   -0.8224 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3106    0.3164   -1.9895 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3766   -0.1080    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9086    0.0627   -0.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8516    0.3207   -1.8594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2012   -0.0518   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2965    0.1129   -0.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6365   -0.3065   -1.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655   -0.8349    0.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3020    0.9117    0.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4928    0.6104    0.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4053   -1.1554    0.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2811   -0.2728    1.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2398    0.3387   -1.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2955    0.0431   -0.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  1  9  1  0
  1 10  1  0
  1 11  1  0
  4 12  1  0
  4 13  1  0
  7 14  1  0
  8 15  1  0
  8 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers