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
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
2.2014 -1.2090 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0902 -0.6037 0.8213 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5224 0.6269 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6825 0.8638 -0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8820 0.0486 -0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8507 -1.3483 0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7234 2.2589 -0.8055 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6953 2.8558 -1.3294 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5104 2.8193 -0.6281 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3004 1.8667 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5236 1.9698 0.3140 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9262 -0.3714 -0.2025 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7356 -1.9209 0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8796 -1.6884 -0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3760 -1.2852 1.2517 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6464 -0.1882 1.7399 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3546 0.0773 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6818 0.5723 0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9240 -1.5015 1.2103 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8239 -1.8417 -0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0939 -2.0010 -0.3761 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