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
   -2.4826    0.3889    0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3697   -0.4743   -0.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3351   -0.8107   -1.6107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3532   -0.8754    0.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0370   -0.6818    0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8011   -1.6700   -0.0340 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5593    0.6464   -0.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8060    0.8431   -0.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1185    0.9911    0.9173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2530   -0.2730    0.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8827    1.0460   -0.7516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5252   -1.9956    0.6711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5047   -0.4666    1.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9308    1.5415   -0.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4844   -0.0175   -0.6662 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2062    1.8079   -0.7714 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