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
   -2.7138   -0.6493    0.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4283   -0.3044    0.9317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5990    0.5190    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6031    0.2317   -0.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4395   -0.9708   -0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559   -0.6007    0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9844    1.3574   -1.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1035    1.4007   -1.9153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0248    2.2954   -1.3464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0316    1.8036   -0.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1374    2.3877   -0.3069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -1.4735    0.7342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5390   -0.9427   -0.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3290    0.2888    0.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7476    0.3293    1.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8888   -1.1888    1.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833   -1.6622    0.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6757   -1.4165   -1.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5410   -1.3412    0.2981 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5993   -0.4112    1.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0866    0.3478    0.0038 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