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
    2.8871   -0.3424   -0.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.0111    0.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6144    0.4149    1.5711 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3613   -0.1500   -0.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8634    0.2213    0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8762    0.6471    1.5501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1367    0.1033   -0.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2623    0.4173    0.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8243   -0.2046   -1.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7432    0.2136    0.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0807   -1.4149   -0.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2789   -1.2468   -0.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4280    0.4531   -1.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1681   -0.2539   -1.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2685    0.7848    1.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2340    0.3463   -0.2063 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