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
    2.3263   -0.6268    0.7428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3137   -0.5490   -0.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4693    0.6346   -0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8193    0.7265   -0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9342   -0.2487   -0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6557   -1.6580   -0.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1059    2.1842    0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2678    2.6245    0.2871 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0953    2.8479    0.1246 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1278    1.9693   -0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3453    2.2513   -0.1374 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6031   -1.6840    0.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2506   -0.0983    0.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9004   -0.1461    1.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8914   -0.4803   -1.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7763   -1.4841   -0.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4385   -0.1887    0.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7499    0.1686   -0.7903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2129   -2.1670    0.4985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -1.9224   -1.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7027   -2.1536   -0.4674 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