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
    2.7742   -0.5022    0.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4492   -0.2083    0.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5481    0.5857   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6385    0.2672   -0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3487   -0.9958   -0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6709   -0.8099    0.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1506    1.3675   -1.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2424    1.3776   -1.9244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1764    2.3328   -1.3037 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8904    1.9368   -0.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9621    2.5397   -0.2562 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3954    0.4116    0.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2672   -1.3390    0.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6421   -0.7640   -0.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6646    0.4555    1.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9173   -1.0823    1.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7307   -1.6806    0.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5495   -1.4650   -1.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9615   -1.7963    0.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5609   -0.1279    1.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4804   -0.5031   -0.2035 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