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
-3.6501 0.7515 -0.3162 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6500 -0.2916 0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3661 0.1967 -0.1946 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2309 -0.5390 0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3885 -1.6366 0.6935 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1100 -0.0468 -0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2497 1.0357 -0.8276 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2170 -0.7942 0.0598 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5139 -0.4342 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2893 0.2562 0.5639 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4498 1.7276 0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5263 0.8031 -1.4278 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6629 0.3437 -0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7263 -0.4837 1.2437 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8089 -1.2228 -0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9122 -0.7531 -1.1784 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8677 0.5703 1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3001 0.5173 0.3030 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