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
    2.5074   -0.8141   -0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4405   -0.2811   -1.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069    0.6837   -0.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6948    0.5804   -0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6334   -0.4874   -0.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3060   -1.1603    0.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1100    1.7448    0.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2986    1.9591    1.0739 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0218    2.5120    0.9431 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1284    1.9165    0.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3159    2.3310    0.3769 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4825   -0.6974   -0.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3110   -1.8850    0.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4770   -0.2681    0.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8374   -1.1454   -1.3467 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8905    0.2363   -1.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4071   -0.0530   -1.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1450   -1.2878   -1.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0966   -2.2535    0.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3817   -0.9803    0.5820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9460   -0.6504    1.5874 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