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
   -2.7963    0.1349    0.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5700    0.3244   -0.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4948   -0.6075   -0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7238   -0.2980    0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2910    1.0824    0.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5131    1.2889   -0.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4126   -1.5611    0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6080   -1.6326    0.9639 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5465   -2.6171    0.2599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6509   -2.0697   -0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6891   -2.6851   -0.5342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6221    0.6369    1.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9885   -0.9390    0.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7038    0.5465   -0.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9297    0.0742   -1.6256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2682    1.3758   -0.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5312    1.8544    0.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586    1.1259    1.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4200    0.8484    0.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6534    2.3718   -0.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3550    0.7457   -1.4283 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