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
    2.7318    0.1585    0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4626   -0.5160    0.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4729   -1.5581    1.1265 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1874    0.0859    0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9843   -0.7364    0.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8171   -1.8145    1.1355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3466   -0.3253    0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6144    0.7939   -0.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4247    0.1606    1.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2341   -0.3497   -0.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5954    1.2353   -0.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0760    1.1510    0.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    0.1047   -1.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1892   -0.9335    0.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    1.0808   -0.6748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8085    1.4628   -0.7835 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