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
   -2.7075    0.7221   -0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4236    0.4507   -0.9168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6191   -0.5011   -0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5878   -0.3119    0.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4767    0.8978    0.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7785    0.5013   -0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9418   -1.5130    1.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0442   -1.6924    1.8036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1256   -2.3905    1.0876 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1352   -1.8273    0.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2542   -2.3150    0.0174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1428    1.6822   -0.5011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3788   -0.1427   -0.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4185    0.8068    0.9234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004   -0.0301   -1.8766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9183    1.4300   -0.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9822    1.6089   -0.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6282    1.4174    1.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8212   -0.6098   -0.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    0.8744   -1.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6054    0.9422    0.1880 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