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
    2.3417   -0.6573    0.8648 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3171   -0.5746   -0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4209    0.5831   -0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8496    0.7447    0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630   -0.2054    0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6340   -1.6447    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1246    2.2047    0.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2393    2.7586    0.3899 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    2.8769    0.1243 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0329    1.9396   -0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2480    2.2486   -0.1832 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5100    0.3208    1.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2678   -1.1428    0.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9421   -1.3340    1.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9587   -0.4254   -1.2016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8884   -1.5453   -0.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7801    0.1155   -0.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4840   -0.1002    1.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0110   -2.0164    0.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3022   -1.8704   -1.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5898   -2.2761    0.1247 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