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
    2.2273   -1.1922   -0.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6918   -0.4248    0.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7086    0.6164   -0.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5437    0.6928    0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2425   -0.2506    1.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4405   -0.8873    0.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2062    1.8758   -0.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4100    2.2133   -0.1056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2592    2.5009   -1.0780 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9011    1.7747   -0.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9910    2.0546   -1.5745 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6779   -2.1456   -0.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4795   -1.4845   -1.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786   -0.6791   -1.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3289   -1.0962    1.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5637    0.1244    0.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5982   -0.9882    1.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6911    0.3908    2.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6910   -1.8794    0.9368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2335   -0.9668   -0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3326   -0.2492    0.5961 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