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
   -2.5804   -0.8936   -0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2961   -0.1278   -0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4243    1.0751   -0.1552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063   -0.9104    0.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1472   -0.2029    0.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1566   -0.9696    0.6487 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4078    1.2013    0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6263    1.6577    0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4379   -0.3750    0.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6983   -0.9718   -1.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5202   -1.9136    0.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2806   -1.6306    1.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0674   -1.5626   -0.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6391    1.9683    0.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4128    0.9491    0.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8868    2.7065    0.6532 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