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
   -2.7023    0.4926   -0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2749    0.3106    0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8441    0.8961    1.2920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4315   -0.5771   -0.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793   -0.6708   -0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5878   -1.7337   -0.4968 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7553    0.2968    0.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0360    0.1050    0.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2209    1.1535    0.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2122   -0.5072    0.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7869    0.9177   -1.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8719   -1.6186   -0.3995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5118   -0.3141   -1.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310    1.2222    0.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5597   -0.8008    0.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6073    0.8279    1.4227 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