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
    2.7671   -0.6993    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4505   -0.5802   -0.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5878    0.4864   -0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6242    0.4088    0.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4249   -0.8408    0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7315   -0.6980   -0.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0909    1.7193    0.8008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2024    2.0095    1.3479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0612    2.5973    0.4958 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897    1.9078   -0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0881    2.3746   -0.5025 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5799   -1.0525   -0.6689 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0459    0.3050    0.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7180   -1.4200    0.8443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7267   -0.2810   -1.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8986   -1.5375   -0.7673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7248   -0.9658    1.5679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9080   -1.7295    0.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5233   -0.7675   -1.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1712    0.2986   -0.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3897   -1.5352    0.0096 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