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
   -2.7334   -0.5325    0.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3632   -0.5598    0.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5096    0.5395    0.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6136    0.4529   -0.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2919   -0.8006   -0.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6583   -0.9530   -0.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0265    1.8173   -0.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0671    2.1291   -1.3402 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0897    2.6915   -0.1911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8789    1.9406    0.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8853    2.4475    1.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4481   -0.0150    0.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6739   -0.0999   -0.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0594   -1.5937    0.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843   -1.5398    0.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4330   -0.2965    1.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3590   -0.8291   -1.8437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774   -1.6680   -0.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1805   -1.7773   -0.6982 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2943   -0.0744   -0.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6108   -1.2788    0.9085 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