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
   -2.5163   -0.8802    0.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5667   -0.1768   -0.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6171    0.6831   -0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6940    0.6224   -0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400   -0.3613   -0.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3799   -1.1729    0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2347    1.6835    0.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4677    1.8923    1.0152 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1401    2.3872    1.2749 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0084    1.8010    0.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2131    2.1666    0.9749 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9973   -1.0137    1.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4238   -0.2991    0.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7416   -1.8682   -0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0755   -0.8793   -1.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2299    0.4633   -1.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9504   -1.0557   -1.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2704    0.1495   -1.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0565   -2.2433    0.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2003   -0.7986    1.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4557   -1.0998   -0.0172 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