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
   -2.6262    0.1476   -0.6267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4646   -0.6293   -0.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6069   -1.7805    0.1727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1547    0.0424   -0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9253   -0.8476    0.4171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7070   -2.0368    0.7335 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2630   -0.3109    0.5329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5288    0.9350    0.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8490    0.9185    0.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5304   -0.4995   -0.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3340    0.6584   -1.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2594    0.9552    0.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0912    0.4139   -1.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0621   -0.9407    0.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5104    1.3757    0.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7374    1.5985   -0.1578 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