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
   -2.6688   -0.7955    0.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4410   -0.4065   -0.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5850    0.5458    0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6603    0.3869    0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4885   -0.7828    0.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7152   -0.5499   -0.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0051    1.6257    1.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1349    1.8280    1.6114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0704    2.4834    1.1176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0940    1.8484    0.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2701    2.3048    0.2355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1361    0.0583    0.5777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4163   -1.1923   -0.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4545   -1.6538    0.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7980    0.0331   -1.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9033   -1.3272   -0.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8030   -1.1895    1.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8844   -1.6035   -0.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5366   -1.1953   -0.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0694    0.4742   -0.7038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5400   -0.8922   -1.7089 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