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
2.4518 -1.3550 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2969 -0.7701 -0.6427 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6337 0.2167 -0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9140 0.8550 1.1813 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5724 0.3329 2.1330 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3215 2.1132 1.1323 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3090 2.3162 -0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6211 3.4021 -0.6484 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5638 0.9575 -0.6277 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7867 0.4202 0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9839 -1.0613 -0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1400 -1.7763 1.0337 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8416 -2.1917 -0.5638 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2921 -0.6359 0.1566 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9567 -1.1315 -1.6112 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6442 0.9256 -1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6937 0.5916 1.1695 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6869 0.9944 -0.2419 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9889 -1.5484 -0.1483 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6062 -1.4298 0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5364 -1.2253 -1.1058 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