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
    2.7693    0.0969    0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3001    0.3389    0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9279    1.4797    0.2299 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4165   -0.7821   -0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0174   -0.5721   -0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7037   -1.6603   -0.3052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7871    0.6261   -0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0939    0.5892   -0.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2107    0.5649    1.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9974   -0.9973    0.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2934    0.4153   -0.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130   -1.3017   -1.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5922   -1.5351    0.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3085    1.5715    0.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6558   -0.3286   -0.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6541    1.4947   -0.1369 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