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
    2.7443   -0.7008   -0.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3879   -0.5229   -0.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5933    0.5287   -0.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5914    0.3842    0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3907   -0.8678    0.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7343   -0.7010   -0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0251    1.6876    0.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1156    1.9080    1.5234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0096    2.5809    0.6246 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0142    1.9297   -0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0968    2.3998   -0.4797 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5348   -0.1175   -0.6577 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0012   -1.7579   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6244   -0.2384    0.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6324   -0.2897   -1.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9077   -1.5177   -0.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8785   -1.7447    0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6154   -1.0585    1.5629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5809   -0.7964    0.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8318   -1.4179   -1.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7637    0.3124   -0.6923 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