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
    2.8200   -0.4020   -0.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4914   -0.7538    0.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5659    0.3650    0.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6097    0.4673   -0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3238   -0.4375   -1.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6334   -0.8436   -0.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621    1.7298    0.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3824    2.1911    0.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3974    2.3603    1.2139 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130    1.5615    1.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7147    1.7981    2.0240 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5177   -1.2537   -0.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8043   -0.3099   -1.3461 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2835    0.5025    0.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6170   -1.2341    1.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0457   -1.5369   -0.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4696    0.0146   -2.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7380   -1.3642   -1.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0765   -1.6322   -1.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2878    0.0527   -0.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3926   -1.2750    0.6151 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