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
   -2.6937   -0.1179    0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1963   -0.0434    0.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7045    0.3868    1.5004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4510   -0.5119   -0.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0075   -0.3732   -0.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6531   -1.1624   -1.4105 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6945    0.5723    0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0104    0.6056    0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0130    0.6062   -0.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1594    0.1654    1.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9360   -1.1610    0.1085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7615   -1.5557   -0.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7717    0.0836   -1.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2324    1.2822    0.8824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5296   -0.0672   -0.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5596    1.2906    0.7907 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