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
   -2.6927   -0.8658   -0.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4203   -0.9097    0.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6575    0.3389    0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655    0.5110   -0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5130   -0.5466   -0.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7918   -0.4968    0.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9133    1.9324   -0.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9726    2.4861   -0.6475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2071    2.6063    0.2057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1867    1.6848    0.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3479    1.9192    1.0082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3917   -0.8793   -1.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3278   -1.7359   -0.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2074    0.0947   -0.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8555   -1.7732    0.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7409   -0.9711    1.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7838   -0.4067   -1.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0527   -1.5344   -0.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6881   -0.7351   -0.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9901    0.4968    0.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7645   -1.2155    1.0651 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