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
    2.3839    0.7171   -0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6753   -0.5931   -0.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3322   -1.6052   -0.0184 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3073   -0.6708   -0.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -0.1405    0.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1916    0.3181    1.3044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0669   -0.1200   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8878    0.3550    0.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7430    0.7363    0.9889 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7059    1.5688   -0.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2227    0.7550   -0.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0566   -1.7498   -0.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2284   -0.1801   -1.8061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4460   -0.5066   -0.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9466    0.3613    0.7472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4956    0.7546    1.8589 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