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
    2.8340    0.0718    0.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3605    0.3394    0.7736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9536    1.0207    1.6853 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4976   -0.2640   -0.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9006    0.1136    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1808    0.8324    0.9955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0095   -0.3155   -0.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2580    0.0389   -0.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668   -0.7988    0.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2823    1.0070    0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2083   -0.1245    1.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8315    0.0612   -1.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6487   -1.3763   -0.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7643   -0.9354   -1.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363   -0.3179   -1.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5340    0.6474    0.2673 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