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
   -2.7649    0.6195    0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3683    0.8037    0.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5309   -0.4273    0.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5747   -0.5247   -0.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857    0.5316   -1.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6782    0.7676   -0.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1004   -1.8977   -0.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1523   -2.3411   -0.6998 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2003   -2.5758    0.6644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8132   -1.7239    1.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8151   -1.9868    1.8153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0056    1.4987   -0.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8567   -0.2712   -0.5348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5242    0.6016    0.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8663    1.6968    0.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4646    1.0204    1.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    1.4702   -0.9434 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2561    0.1685   -2.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -0.0170   -0.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6211    0.8448    0.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0299    1.7421   -0.9157 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