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
    2.8060   -0.2121   -0.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5896   -0.3958    0.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5266    0.5877    0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7047    0.3265   -0.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3359   -1.0211   -0.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5308   -1.1917    0.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4030    1.6002   -0.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5978    1.7030   -0.7792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4954    2.6002   -0.0846 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7157    2.0305    0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7437    2.6693    0.6270 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7271   -0.1997    0.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7977    0.7644   -0.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9240   -1.0720   -1.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2280   -1.4360    0.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8919   -0.2508    1.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6287   -1.8372   -0.3317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6861   -0.9877   -1.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4641   -2.1197    1.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4825   -1.2508   -0.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6213   -0.3070    1.1328 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