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
    2.4730   -0.9842   -0.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -0.4545    0.7601 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    0.6240    0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6560    0.6235    0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5922   -0.4098    0.6451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4707   -0.9304   -0.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0770    1.8852   -0.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2878    2.2489   -0.6046 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670    2.6048   -0.6982 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1795    1.8717   -0.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4091    2.1994   -0.4404 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5061   -1.0566    0.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4616   -0.3037   -1.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1964   -2.0068   -0.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9627   -1.2824    1.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -0.0015    1.5858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0689   -1.2678    1.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3020   -0.0364    1.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9798   -1.8483   -0.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9058   -1.2509   -1.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2918   -0.2242   -0.7065 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