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
    2.2493   -1.1665    0.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6401   -0.4569   -0.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7263    0.5779   -0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5683    0.6516   -0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4488   -0.2408   -1.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -0.8158   -0.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0331    1.8245    0.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2502    2.1846    0.5010 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0425    2.3992    1.1432 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1713    1.6553    0.8438 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3628    1.8659    1.2494 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3867   -1.4779    1.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7679   -2.0624    0.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9407   -0.4810    1.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0972   -1.2014   -1.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4561    0.0209   -1.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8532   -0.9749   -1.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9637    0.4450   -1.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0896   -0.8629    0.9096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8276   -1.8123   -0.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3232   -0.0721   -0.0895 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