Monomers

3,4-Diethylfuran-2,5-dione

Identifiers

IUPAC name
3,4-diethylfuran-2,5-dione
InchI
InChI=1S/C8H10O3/c1-3-5-6(4-2)8(10)11-7(5)9/h3-4H2,1-2H3
InchI Key
BUACTSFOIWPXGU-UHFFFAOYSA-N
SMILES
CCC1=C(CC)C(=O)OC1=O
Canonical SMILES
CCC1=C(C(=O)OC1=O)CC
Isomeric SMILES
CCC1=C(C(=O)OC1=O)CC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H10O3
Heavy Atom Count
11
Molecular Weight
154.165
Exact Molecular Weight
154.063
Valence Electrons
60
Radical Electrons
0
tPSA
43.37
MolLogP
1.1864
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 21 21  0  0  0  0  0  0  0  0999 V2000
    2.7330   -0.6808   -0.3239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4779   -0.7125    0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6122    0.4931    0.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207    0.4784   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4373   -0.7156   -0.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6949   -0.7993    0.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0919    1.8505   -0.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2279    2.2716   -0.6757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0811    2.6671    0.1506 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9810    1.8767    0.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1280    2.2406    0.9413 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7458    0.1610   -1.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8228   -1.6745   -0.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6475   -0.5340    0.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7796   -0.6330    1.5735 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9116   -1.6392    0.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7953   -0.5342   -1.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727   -1.6451   -0.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1385   -1.7970    0.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4519   -0.0617   -0.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4272   -0.6122    1.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10  3  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  6 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers