Monomers
Vinyl ethyl oxalate
Identifiers
IUPAC name
2-O-ethenyl 1-O-ethyl oxalate
InchI
InChI=1S/C6H8O4/c1-3-9-5(7)6(8)10-4-2/h3H,1,4H2,2H3
InchI Key
VWBJUKIWBKFFCF-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=O)OC=C
Canonical SMILES
CCOC(=O)C(=O)OC=C
Isomeric SMILES
CCOC(=O)C(=O)OC=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H8O4
Heavy Atom Count
10
Molecular Weight
144.126
Exact Molecular Weight
144.0423
Valence Electrons
56
Radical Electrons
0
tPSA
52.6
MolLogP
0.2362
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
18 17 0 0 0 0 0 0 0 0999 V2000
-3.3329 0.2573 -0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5884 0.0298 1.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2779 -0.4636 0.8380 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3051 0.2268 0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6528 1.3353 -0.3593 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0419 -0.2866 -0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4110 -1.3870 0.4046 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9615 0.4492 -0.7871 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2327 -0.0657 -0.9493 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2271 0.1639 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9376 -0.6312 -0.5358 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7056 0.5095 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0368 1.1269 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1470 -0.7086 1.6253 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5041 0.9489 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3850 -0.6939 -1.8316 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0442 0.7867 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1848 -0.2649 -0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 0
6 8 1 0
8 9 1 0
9 10 2 3
1 11 1 0
1 12 1 0
1 13 1 0
2 14 1 0
2 15 1 0
9 16 1 0
10 17 1 0
10 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers