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
   -2.2111    0.8160   -0.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7949   -0.5841   -0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6761   -1.4578   -0.2540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4343   -1.0766    0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5941   -0.0289    0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2518    1.1733   -0.0535 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0018   -0.3271    0.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9309    0.6106    0.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9848    1.4518    0.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3086    0.8922   -0.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7433    1.2728   -1.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4191   -1.6522    0.9617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517   -1.7679   -0.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875   -1.3612    0.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828    1.6575    0.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750    0.3817    0.4977 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