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
   -2.5531   -1.0928   -0.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2859   -1.0885    0.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6965    0.2624    0.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5049    0.5866   -0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345   -0.3072   -0.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -0.2421    0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6926    2.0470    0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7315    2.6686   -0.2833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    2.5368    0.5769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3669    1.4667    0.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5240    1.5848    1.2536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3790   -1.6242    0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8653   -0.0404   -0.6743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3085   -1.5044   -1.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5953   -1.3409    1.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5787   -1.8665    0.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8540    0.0657   -1.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1941   -1.3303   -0.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3941    0.6544   -0.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4799   -0.3038    1.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4468   -1.1319   -0.0131 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