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
   -2.7546   -0.3865    0.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3885    0.0570    0.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5629    0.5588   -0.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6005    0.0833   -0.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3309   -1.0604    0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7073   -0.6273    0.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0611    0.8850   -1.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1452    0.6987   -2.3004 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966    1.8549   -1.9076 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9288    1.7007   -0.9839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9807    2.3857   -0.8727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8687   -1.4928    0.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8210   -0.1256   -0.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5821    0.1511    0.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9560   -0.7853    1.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5851    0.9399    1.6653 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5176   -1.8588   -0.6977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.5181    0.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5249   -1.1652    0.0562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8341    0.4503    0.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7937   -0.7454    1.6580 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