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
    2.3336   -0.9714    0.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6219   -0.5105   -0.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7120    0.6174   -0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6007    0.6033   -0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4930   -0.4504   -0.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4817   -0.9080    0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0768    1.8911    0.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3041    2.2424    0.2550 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0159    2.6192    0.6705 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1537    1.8587    0.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3577    2.1434    0.7056 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3818   -1.1976    0.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2888   -0.2080    1.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8671   -1.9393    0.9914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3440   -0.0344   -1.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1085   -1.2998   -1.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9135   -1.2922   -1.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0593   -0.0361   -1.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5223   -2.0318    0.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5069   -0.5734   -0.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2266   -0.5224    1.1802 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