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
   -2.7013   -0.3236    0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2935   -0.3010    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8077   -1.1745   -0.6467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4235    0.8538    0.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9228    0.6971   -0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3213    1.4794   -1.0850 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8376   -0.3416    0.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0594   -0.5115   -0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1584    0.7040    0.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7053   -0.6757    1.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3204   -1.0411   -0.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4360    1.0343    1.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9089    1.7555   -0.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5098   -1.0325    1.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7027   -1.2834    0.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    0.1606   -0.9601 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