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
    2.7751   -0.2962   -0.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6131   -0.4478    0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5310    0.5372    0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7232    0.2935   -0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3818   -1.0322   -0.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5240   -1.0855    0.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3888    1.6029   -0.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5975    1.7324   -0.6719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4384    2.5774   -0.0937 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7778    1.9920    0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8650    2.5561    0.5112 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6324    0.5888   -1.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7490   -0.1744    0.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8540   -1.1698   -1.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9814   -0.1972    1.4434 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2018   -1.4549    0.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6693   -1.8319   -0.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8222   -1.0103   -1.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2881   -0.3642    0.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9647   -2.0833    0.6453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1826   -0.7327    1.6153 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