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
    2.7594   -0.3905   -0.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5063   -0.8015    0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5855    0.3865    0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6316    0.4451   -0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3968   -0.6600   -0.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6622   -0.9110    0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1911    1.7986    0.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3506    2.1775   -0.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1994    2.5119    0.7087 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9095    1.7083    0.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0101    1.9825    1.4691 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1810   -1.2496   -0.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5366    0.4520   -1.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5308   -0.0937    0.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7491   -1.0162    1.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0700   -1.6602   -0.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7978   -1.5559   -0.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6441   -0.2669   -1.8014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5574   -0.5088   -0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7840   -1.9885    0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6234   -0.3597    0.9985 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