Monomers
Fumaric acid, di(2-methoxyethyl) ester
Identifiers
IUPAC name
bis(2-methoxyethyl) (E)-but-2-enedioate
InchI
InChI=1S/C10H16O6/c1-13-5-7-15-9(11)3-4-10(12)16-8-6-14-2/h3-4H,5-8H2,1-2H3/b4-3+
InchI Key
INJVHPRSHKTTBD-ONEGZZNKSA-N
SMILES
COCCOC(=O)/C=C/C(=O)OCCOC
Canonical SMILES
COCCOC(=O)C=CC(=O)OCCOC
Isomeric SMILES
COCCOC(=O)/C=C/C(=O)OCCOC
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H16O6
Heavy Atom Count
16
Molecular Weight
232.232
Exact Molecular Weight
232.0947
Valence Electrons
92
Radical Electrons
0
tPSA
71.06
MolLogP
-0.0782
H Bond Acceptors
6
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
32 31 0 0 0 0 0 0 0 0999 V2000
5.6717 -1.5015 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7238 -1.7434 0.3995 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7867 -0.6901 0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7573 -0.9319 -0.5601 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7377 0.0155 -0.6132 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9115 1.3653 -0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1648 1.6697 -1.0110 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9100 2.3890 -0.9099 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3781 2.3341 -0.7786 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1100 1.1168 -0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6680 -0.0351 -0.3762 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5299 1.1647 -0.3886 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2930 -0.0057 -0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7255 0.4590 -0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6581 -0.4989 0.1651 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4581 -1.1286 1.3735 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4631 -2.2795 1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1038 -0.4921 1.2544 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1937 -1.4862 2.4095 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2759 -0.7598 1.4841 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3640 0.2329 0.3836 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2346 -1.1083 -1.5677 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2767 -1.9183 -0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3633 3.4138 -1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9523 3.2853 -0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2024 -0.7735 -0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0320 -0.4419 0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7675 1.2486 0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9144 0.9942 -1.0494 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2880 -1.8818 1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4724 -1.6442 1.4348 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4889 -0.3678 2.1737 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 1 0
5 6 1 0
6 7 2 0
6 8 1 0
8 9 2 3
9 10 1 0
10 11 2 0
10 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
1 17 1 0
1 18 1 0
1 19 1 0
3 20 1 0
3 21 1 0
4 22 1 0
4 23 1 0
8 24 1 0
9 25 1 0
13 26 1 0
13 27 1 0
14 28 1 0
14 29 1 0
16 30 1 0
16 31 1 0
16 32 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers