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
    2.4437    0.5738    0.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6171    0.5338   -0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6067   -0.5574   -0.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6999   -0.4721   -0.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4826    0.7590   -0.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3731    1.0627    0.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2257   -1.8002   -0.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4408   -2.1582   -0.1101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1874   -2.7061   -0.0087 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9712   -1.9702   -0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1380   -2.4305   -0.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2583   -0.1652    0.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7939    0.2705    1.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8171    1.6016    0.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1777    1.5170   -0.6961 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2850    0.2545   -1.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    1.6430   -0.7658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0850    0.6354   -1.5672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2620    2.1038    0.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4461    0.9155    0.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0728    0.3894    1.3840 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