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
    2.7827   -0.8147   -0.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5147   -0.1380   -0.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4351    0.5617   -1.4896 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3408   -0.3279    0.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8456    0.4338   -0.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8300    1.1264   -1.1609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0688    0.3282    0.6365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1384    0.9787    0.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9970   -0.7564    0.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7494   -1.8884   -0.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6599   -0.3402   -0.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6124    0.0099    1.4025 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0559   -1.3922    0.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1098   -0.2817    1.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0922    1.5714   -0.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0629    0.9295    0.7742 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