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
    2.4577    0.9512    0.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.7444   -0.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7143   -0.4893   -0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6271   -0.5305   -0.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076    0.5712   -0.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4354    0.5816    0.8371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0430   -1.9346   -0.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2181   -2.3663   -0.1984 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172   -2.7011   -0.2728 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1929   -1.8441   -0.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3963   -2.1909   -0.4049 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0163    1.8845    0.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1523    0.0918    0.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8714    1.1477    1.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8558    1.6408   -0.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0936    0.7489   -1.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2740    0.4029   -1.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1652    1.5769   -0.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4598    0.9069    0.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5115   -0.4358    1.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0302    1.2440    1.6110 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