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
    2.7607    0.4924    0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3053    0.4680   -0.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7980    1.3577   -1.0173 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4843   -0.6854    0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9056   -0.5118   -0.3716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1832   -0.7720   -1.5662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9470   -0.0483    0.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1785    0.1042    0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3621    0.0291   -0.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1133    1.5425    0.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9445   -0.0472    0.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5323   -0.8198    1.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9424   -1.6122   -0.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6810    0.1705    1.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4246   -0.1135   -0.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9232    0.4457    0.7753 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