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
    2.2014   -1.2090    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0902   -0.6037    0.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5224    0.6269    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6825    0.8638   -0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8820    0.0486   -0.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8507   -1.3483    0.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7234    2.2589   -0.8055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6953    2.8558   -1.3294 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5104    2.8193   -0.6281 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3004    1.8667   -0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5236    1.9698    0.3140 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9262   -0.3714   -0.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7356   -1.9209    0.6464 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8796   -1.6884   -0.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3760   -1.2852    1.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6464   -0.1882    1.7399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3546    0.0773   -1.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6818    0.5723    0.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9240   -1.5015    1.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8239   -1.8417   -0.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0939   -2.0010   -0.3761 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