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
    2.3884   -0.6136   -0.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5472   -0.7560    0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6373    0.4356    0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6779    0.4787    0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5637   -0.6917    0.3677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4885   -0.6963   -0.8055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0396    1.8933    0.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2032    2.3126    0.5738 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1086    2.6464    0.5529 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994    1.8066    0.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4215    2.1072    0.4754 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0619   -1.5031   -0.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6885   -0.5745   -1.7982 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0191    0.2656   -0.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9744   -1.6892    0.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2251   -0.8380    1.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1808   -0.7025    1.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9887   -1.6268    0.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4401   -1.1788   -0.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6294    0.2908   -1.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0596   -1.3661   -1.6053 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