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
   -2.3976   -1.1623    0.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4130   -0.6178   -0.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6801    0.5550   -0.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6234    0.6715   -0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6604   -0.3267   -0.4794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4630   -0.7261    0.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8671    1.9980    0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9606    2.5354    0.6940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3581    2.6374    0.5342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3540    1.7774    0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5723    2.0739    0.1166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8411   -1.2533    1.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2970   -0.5402    0.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7215   -2.1488   -0.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7501   -1.4622   -1.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9491   -0.3284   -1.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4082    0.0630   -1.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2588   -1.2516   -0.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3020   -1.3725    0.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8930   -1.2860    1.4761 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8975    0.1641    1.2096 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