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
-3.3023 0.2194 -0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7160 -0.2363 0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3863 -0.6605 0.5170 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3293 0.0989 0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5706 1.3006 -0.2300 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0472 -0.3750 0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3380 -1.5549 0.3519 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0699 0.4396 -0.3916 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3905 0.0289 -0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2269 0.1446 0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2646 -0.3186 -0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5005 1.3135 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6441 0.0269 -1.5736 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3219 -1.1218 0.9538 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8757 0.5399 1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7169 -0.4011 -1.4139 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2525 -0.1714 0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8693 0.5819 1.4410 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