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
   -2.7372   -0.7461   -0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4220   -0.7495    0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6135    0.4604    0.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5813    0.4760   -0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.6442   -0.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7484   -0.6923    0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0290    1.8865   -0.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1120    2.3274   -0.7401 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0121    2.6570    0.2315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0221    1.8324    0.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1352    2.1736    1.1486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5014   -1.2151    0.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0271    0.2906   -0.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7161   -1.3189   -1.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8686   -1.6362    0.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6101   -0.7777    1.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6433   -0.5220   -1.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9255   -1.6039   -0.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3606   -1.4664   -0.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5277   -1.0068    1.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2844    0.2752   -0.0104 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