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
   -2.6813   -0.8637   -0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3521   -0.7271   -0.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6185    0.4503   -0.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5712    0.4360    0.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4603   -0.7436    0.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7604   -0.5224   -0.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9010    1.8119    0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9666    2.2162    1.2578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1551    2.6119    0.2790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1348    1.8203   -0.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2342    2.2157   -0.7841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4845   -1.3602    0.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3688   -1.4264   -0.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1091    0.1417    0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7752   -1.6480   -0.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -0.5872   -1.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6966   -0.6829    1.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9705   -1.6818    0.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9152    0.5401   -0.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5872   -0.9287    0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6803   -1.0720   -1.0829 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