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
   -2.8228   -0.0756    0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3861    0.2202    0.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0263    0.4779    1.3878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4321    0.1998   -0.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9476    0.5170   -0.4613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601    1.7070   -0.2467 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9591   -0.5100   -0.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2041   -0.2300    0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1548   -0.7546    0.8603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4416    0.8356    0.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9901   -0.6465   -0.9174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7888    0.8845   -1.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5108   -0.8272   -1.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7082   -1.5606   -0.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9330   -1.0091    0.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5413    0.7716    0.2832 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