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
-3.0203 1.0761 0.6395 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8442 -0.4080 0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5033 -0.7429 0.7940 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4846 -0.1933 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7011 0.6054 -0.9275 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8867 -0.5500 0.3555 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1110 -1.3297 1.2929 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9691 -0.0255 -0.3793 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2424 -0.4222 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3289 0.0091 -0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8656 1.3147 1.3133 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2878 1.5171 -0.3537 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0810 1.5656 1.0047 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4751 -0.9062 1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1584 -0.7785 -0.5036 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3869 -1.1052 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1913 0.6947 -1.4507 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3049 -0.3213 -0.2984 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