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
   -2.7298   -0.6536   -0.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3158   -0.5159   -1.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5504    0.4872   -0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5489    0.3642    0.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3649   -0.8613    0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7706   -0.6568    0.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8827    1.6558    1.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8954    1.8743    1.8391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1186    2.5297    0.7272 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0308    1.8781   -0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0804    2.3587   -0.6178 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1198    0.3145   -0.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7493   -1.3567    0.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3710   -0.9806   -1.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3221   -0.2415   -2.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8423   -1.4924   -0.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9136   -1.6637    0.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4181   -1.1888    1.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8415    0.1473   -0.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4537   -0.3948    0.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1409   -1.6038   -0.3270 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