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
    2.6450   -0.4652   -0.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776   -1.0378   -0.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6444    0.0748    0.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5766    0.5158    0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5145    0.0149   -0.8362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7632   -0.4679   -0.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875    1.6146    1.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9697    2.2777    1.1335 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2446    1.7708    1.8795 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    0.8533    1.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3777    0.7282    2.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4557    0.5850   -1.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4577   -0.4443   -0.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9732   -1.0088   -1.7516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7596   -1.5529   -0.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7210   -1.7554    0.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0585   -0.7578   -1.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8439    0.8303   -1.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1544   -1.4012   -0.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5427   -0.6592    0.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5716    0.2851   -0.1849 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