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
   -2.8595   -0.2245   -0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3935   -0.4982   -0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -1.0977   -1.2802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4248    0.0020    0.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9344   -0.3571    0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2173   -1.5472    0.0164 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9593    0.6577    0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1943    0.3839   -0.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500   -0.7006   -0.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1762   -0.5073    0.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9511    0.8917   -0.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6521   -0.4042    1.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5417    1.1262    0.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6873    1.7079    0.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5309   -0.6219   -0.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9087    1.1894   -0.3918 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