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
    2.5727   -0.7599   -0.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4007   -0.3052   -1.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5376    0.6456   -0.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7424    0.5741   -0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6566   -0.5530   -0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2395   -1.1848    0.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1222    1.7936    0.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2610    2.0926    1.1534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0227    2.6164    0.7860 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0063    1.9329    0.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1689    2.4013    0.0633 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5418   -0.5535   -0.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6226   -0.3022    0.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371   -1.8692   -0.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7957    0.1074   -2.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7958   -1.1889   -1.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5307   -0.0846   -0.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1959   -1.2550   -1.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6183   -0.9615    1.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2733   -0.8499    1.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3166   -2.2962    0.7340 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