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
    2.4840   -0.8244    0.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5856   -0.2422   -0.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6038    0.6727   -0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7013    0.5921   -0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5306   -0.4240   -0.7615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3809   -1.2116    0.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1880    1.7032    0.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3926    2.0067    0.9669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1257    2.4627    1.1471 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0016    1.8410    0.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2223    2.1906    0.8200 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0442   -0.0005    0.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1534   -1.5624   -0.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8535   -1.3253    1.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0708   -1.0156   -1.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2197    0.4155   -1.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9202   -1.1409   -1.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1846    0.1299   -1.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4451   -0.7255    1.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9787   -2.2427    0.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3910   -1.2994   -0.2403 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