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
    2.6441   -0.2998    0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6394    0.0563   -0.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4731    0.7690   -0.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7618    0.3780   -0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3676   -0.8389   -0.8349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0863   -1.5876    0.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5819    1.3951    0.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8461    1.3989    0.5595 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7728    2.4140    0.8862 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142    2.0450    0.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5341    2.7552    0.8165 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8413    0.5962    1.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5473   -0.6642   -0.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552   -1.0765    1.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3593   -0.8657   -1.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2258    0.6929   -1.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6829   -1.4336   -1.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1653   -0.4637   -1.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4316   -1.5341    1.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2926   -2.6395   -0.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0446   -1.0971    0.4773 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