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
3.0614 1.0344 0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6810 0.9470 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8635 -0.0570 0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0840 -1.2843 -0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9879 -1.4767 -1.2652 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1289 -2.2234 -0.0316 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6949 -1.6614 0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4555 -2.2245 1.7555 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5334 -0.1901 0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5305 0.2872 -0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9208 0.1222 0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8133 0.8662 0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2399 2.0894 -0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2955 0.3977 -0.7841 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3342 1.8026 1.1625 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6896 0.3117 1.7912 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4840 -0.3132 -1.1416 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3138 1.3347 -0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8844 -0.4412 1.2768 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5897 -0.4473 -0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3932 1.1260 0.4813 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