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
   -2.8933   -0.3480    0.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4723   -0.7419    0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1673   -1.9061    0.2290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4338    0.2997    0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9334   -0.2314    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1665   -1.4619    0.1570 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0312    0.7534    0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2699    0.3255    0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0356    0.4530    0.9634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1555    0.0288   -0.8351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5668   -1.1749    0.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5339    0.9398    1.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5404    0.9507   -0.7929 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8470    1.8064   -0.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0733    1.0354   -0.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4777   -0.7284    0.0721 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