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
    2.2657   -0.7996   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7648    0.4421   -0.6527 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5810    1.1709   -1.2034 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3763    0.8786   -0.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5849    0.0135   -0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2506   -1.0478    0.5365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9871    0.3852   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9096   -0.3709    0.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1385   -0.8170    1.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3451   -0.9504   -0.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7614   -1.7061   -0.4523 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0697    0.9736   -1.7601 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2960    1.9200   -0.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3418    1.3078   -0.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5851   -1.2858    1.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9394   -0.1141    0.6000 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