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
   -2.5261   -0.1504   -0.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4239   -0.7329    0.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847   -1.3886    1.2914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0171   -0.5302   -0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5834    0.5172    0.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1002    1.0845    1.6556 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9729    0.8664    0.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6615    0.2848   -0.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6641   -0.7827   -1.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2637    0.8891   -0.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4734   -0.0922    0.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5544   -1.4791   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0336   -0.2014   -1.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    1.6277    1.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2423   -0.4754   -1.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6928    0.5631   -0.5759 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