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
    2.3535   -1.1381    0.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5036   -0.6305   -0.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6928    0.5342   -0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6270    0.6439   -0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6067   -0.3972   -0.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5056   -0.6835    0.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9718    1.9820    0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1512    2.4114    0.2598 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2023    2.6712    0.4687 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2539    1.7919    0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4629    2.1136    0.3780 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1057   -0.4113    0.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8299   -2.0752    0.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7259   -1.4239    1.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2453   -0.3005   -1.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9194   -1.4865   -1.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1065   -1.2786   -1.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2716    0.0104   -1.5452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5436   -0.8197    0.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3984    0.1075    1.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1128   -1.6211    0.9232 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