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
   -2.5242   -0.3790   -0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1166   -0.6660    0.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7070   -1.7970    0.2119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2338    0.4270    0.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6420    0.9115   -0.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1592    1.7652   -1.1138 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0071    0.4675   -0.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5898   -0.4179    0.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1547   -1.3164   -0.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9263    0.2846    0.7662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6531    0.0548   -1.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8317    1.2751    1.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4456    0.1300    1.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5826    0.8767   -1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6117   -0.7360    0.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1095   -0.8801    1.0637 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