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
   -2.6594   -0.2090   -0.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2440   -0.4297   -0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6955   -1.4651   -0.5530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5186    0.6418    0.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8743    0.2437    0.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1941    0.0479    1.9555 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8477    0.0793   -0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787   -0.2683    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8945   -0.8721   -1.5005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3102   -0.4962    0.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8570    0.8556   -0.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4872    1.5321   -0.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0780    0.9247    1.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    0.2447   -1.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4075   -0.4392    1.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -0.3902   -0.7728 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