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
    2.7286   -0.6909   -0.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4163   -0.8516    0.5137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6193    0.3917    0.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5642    0.4612   -0.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4065   -0.6199   -0.7788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6941   -0.6665   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0226    1.8475   -0.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1245    2.2939   -0.5892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0342    2.6090    0.4563 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9891    1.7345    0.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0450    2.0870    1.3444 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5508   -0.3711    0.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6388   -0.0135   -1.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0347   -1.6813   -0.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8877   -1.7053    0.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6453   -1.0168    1.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6806   -0.2376   -1.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9011   -1.5754   -0.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6580    0.0017    0.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8996   -1.6908    0.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5701   -0.3057   -0.5786 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