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
   -2.2530   -1.3868    0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3920   -0.4981    0.9891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7391    0.5433    0.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5474    0.7556    0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6324   -0.0112    0.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310   -0.6558   -0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7538    1.9016   -0.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8837    2.3385   -1.2359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5139    2.3345   -1.2562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4743    1.5284   -0.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7260    1.6415   -0.7264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0840   -2.4581    0.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3179   -1.0903    0.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172   -1.2231   -0.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1095    0.0060    1.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6860   -1.0989    1.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3106    0.6383    1.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2965   -0.8087    1.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -1.0498   -1.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0959   -1.5151    0.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2347    0.1083   -0.7867 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