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
    2.3921   -0.4927   -0.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3101   -0.2824    0.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3412    0.7443    0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9516    0.6373   -0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8807   -0.4785    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3841   -1.8189    0.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    2.0054   -0.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5743    2.3031   -0.7619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3312    2.8387   -0.4522 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7948    2.1411   -0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9743    2.5575    0.0581 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3746   -0.7142   -0.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1400   -1.3469   -1.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5170    0.4534   -1.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9439   -1.1874    1.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9133    0.2043    1.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6548   -0.2139    0.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5156   -0.5797   -0.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6070   -2.1829   -0.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2360   -2.5680    0.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1660   -2.0197    1.4164 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