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
   -2.7762   -0.5556    0.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5938   -0.1890   -0.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5601    0.5753    0.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6947    0.2335    0.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3993   -1.0157   -0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5684   -0.6743   -1.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3452    1.2752    1.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5653    1.2808    1.5065 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3869    2.2485    1.3617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8127    1.8650    0.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8991    2.5334    0.8096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0509    0.2672    0.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6082   -1.4578    0.8799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6173   -0.8128   -0.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1439   -1.0588   -1.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9903    0.4722   -1.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7156   -1.6808   -0.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8319   -1.4583    0.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2839   -1.5416   -0.9599 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0581    0.2732   -0.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2031   -0.5797   -2.0680 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