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
    2.4519    0.2752    1.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6347    0.6482   -0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6120   -0.4037   -0.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6978   -0.3047   -0.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4716    0.9400   -0.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4326    0.7955    0.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2371   -1.6113   -0.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4365   -1.9066   -1.0436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1384   -2.4834   -1.0357 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0309   -1.7776   -0.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1780   -2.2788   -0.8506 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3410   -0.8102    1.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1389    0.8692    1.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5297    0.4619    0.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2018    1.6443   -0.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3227    0.6449   -1.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1132    1.1942   -1.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8214    1.8020   -0.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0354    1.7289    0.8419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9025    0.5926    1.7532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1549   -0.0208    0.5724 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