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
   -2.7832   -0.3032   -0.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5573   -0.6228    0.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5768    0.4778    0.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6679    0.4218    0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3902   -0.7285   -0.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6092   -1.1183    0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2748    1.7470    0.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524    2.0858   -0.0685 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3467    2.6009    0.7980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7972    1.8479    0.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9073    2.2091    1.4399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9838   -1.1250   -1.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6789    0.6782   -0.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7001   -0.1970    0.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0784   -1.5569    0.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9348   -0.8413    1.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7211   -1.5646   -0.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7767   -0.3663   -1.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4350   -0.8003    1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8007   -2.2174    0.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5231   -0.6269   -0.1449 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