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
   -2.5789   -0.1660    0.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5602   -0.2591   -0.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8395   -0.5391   -1.3787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1474    0.0018    0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7294   -0.1349   -1.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1929   -0.4389   -2.1813 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1519    0.0833   -0.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555    0.3959    0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3122   -0.9194    1.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5019    0.8587    1.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6079   -0.2726    0.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0074    1.0269    0.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2434   -0.6954    0.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7771   -0.0157   -1.7928 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0607    0.5056    1.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7298    0.5690    0.3911 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