Monomers
3-Ethyl-4-ethylideneoxolane-2,5-dione
Identifiers
IUPAC name
3-ethyl-4-ethylideneoxolane-2,5-dione
InchI
InChI=1S/C8H10O3/c1-3-5-6(4-2)8(10)11-7(5)9/h3,6H,4H2,1-2H3
InchI Key
JPQAIRCYDQEYKM-UHFFFAOYSA-N
SMILES
CC=C1C(=O)OC(=O)C1CC
Canonical SMILES
CCC1C(=CC)C(=O)OC1=O
Isomeric SMILES
CCC1C(=CC)C(=O)OC1=O
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
1.0423
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
2.8906 -0.2199 1.2602 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4240 -0.0216 1.1445 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8607 0.1838 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5361 0.2471 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7779 0.5209 -1.4638 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6019 -0.0356 -2.3164 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 -0.2733 -1.7107 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6077 -0.9354 -2.1740 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5627 0.4047 -0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5165 -0.1900 0.6048 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9227 0.1089 0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3574 0.7924 1.1926 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1535 -0.7412 2.2003 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2888 -0.8034 0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8564 -0.0549 2.0604 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7818 1.4721 -0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3987 0.2838 1.5773 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4071 -1.2712 0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4996 -0.8262 -0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4973 0.7020 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9323 0.6571 -0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
10 11 1 0
9 3 1 0
1 12 1 0
1 13 1 0
1 14 1 0
2 15 1 0
9 16 1 0
10 17 1 0
10 18 1 0
11 19 1 0
11 20 1 0
11 21 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers