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
   -2.6124    0.3096   -0.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5191   -0.3312    0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7207   -1.4151    0.7026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651    0.2399    0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236   -0.7693   -0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4187   -1.8567   -0.6700 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552   -0.5274   -0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6842    0.5839    0.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3718    0.8125    0.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2038   -0.4548   -1.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2614    1.0207   -1.3567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0226    1.2025   -0.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0244    0.3125    1.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9543   -1.2426   -0.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9719    1.2990    0.8549 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7446    0.8163    0.5696 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