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
    2.3639    0.9633   -0.9026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080    0.6295    0.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7156   -0.5222    0.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5976   -0.6106    0.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4999    0.5012    0.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5444    0.7813   -0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0518   -1.9619    0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2172   -2.4481    0.1250 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0641   -2.7293   -0.2293 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1480   -1.8662   -0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3577   -2.2045   -0.3959 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1008    0.2913   -1.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1297    2.0048   -1.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4655    0.9469   -0.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0591    1.5371    0.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3884    0.4642    1.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9598    1.4387    0.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0568    0.2224    1.6689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5185    0.0268   -1.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5790    0.7570    0.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759    1.7783   -0.7841 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