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
   -1.8321   -1.4100   -0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9014    0.0479   -0.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7317    0.8013    0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4952    0.4929    0.6063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1191   -0.8334    0.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3140   -0.7796   -0.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2603    1.7269    0.9709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4585    1.7602    1.3270 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4033    2.7674    0.8365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8143    2.2905    0.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8358    2.9765    0.2016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8949   -1.7305   -0.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2328   -1.7827   -1.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7093   -2.0007    0.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1860    0.4521   -1.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8195    0.2926    0.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5592   -0.9832    1.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5317   -1.6778    0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5717   -1.8142   -0.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0399   -0.2312   -1.2602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2050   -0.3653    0.1732 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