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
2.6441 -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