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
   -2.6829   -0.9914    0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3412   -0.9962   -0.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6471    0.3032   -0.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5249    0.5431    0.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4704   -0.4603    0.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8108   -0.3733    0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8227    1.9794    0.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    2.5508    0.7093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2575    2.6165   -0.3368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1669    1.6393   -0.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2936    1.7900   -1.2737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0021   -2.0214    0.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4737   -0.4602    1.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4053   -0.3582   -0.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5052   -1.1769   -1.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7538   -1.8133   -0.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6175   -0.2535    1.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0795   -1.4717    0.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536   -0.6365   -1.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1790    0.6742    0.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5165   -1.0838    0.4555 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