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
-2.3277 -1.4899 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0152 -0.9974 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7230 0.2665 -0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5477 1.2772 0.4539 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8150 1.2092 0.5832 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6953 2.2863 0.8853 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6088 1.9583 0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6594 2.4093 1.1100 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5161 1.0221 -0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6940 0.1204 -0.7477 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0680 -0.6561 0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4684 -2.5787 -0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4676 -1.3667 1.1734 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1162 -0.8892 -0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3593 -1.7001 -0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3822 1.5858 -1.5208 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4237 -0.6177 -1.5522 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5248 0.7130 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1655 -0.5005 0.6518 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5390 -0.2880 1.3417 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9540 -1.7639 0.3188 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