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
    2.5875   -0.1235    0.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6783   -0.2603   -0.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9935   -1.0864   -1.3937 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4407    0.5392   -0.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7782   -0.2245   -0.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6135   -1.4107    0.0606 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0650    0.4022   -0.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1815   -0.2375   -0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0768    0.3468    1.5036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0559   -1.1090    0.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4138    0.5497    0.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4475    1.4753   -0.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3533    0.7545   -1.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1422    1.4183   -0.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1353    0.2240   -0.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1315   -1.2580    0.2239 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