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
-5.7890 -0.5700 -0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5684 -0.7703 -0.9592 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0097 0.4047 -1.3974 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7738 1.3484 -0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9250 0.8491 0.7323 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5999 0.5065 0.4455 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2274 0.6683 -0.7029 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7891 -0.0005 1.4998 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4512 -0.3680 1.4245 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3456 -0.3701 0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0750 -0.0043 -0.8818 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6844 -0.8194 0.4192 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5013 -0.7958 -0.7291 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8744 -1.3175 -0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4812 -0.5713 0.6373 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6832 0.7559 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7715 0.0550 0.5337 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4384 -0.0627 -1.1203 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2115 -1.5818 -0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0763 0.1635 -1.9679 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7170 0.9583 -2.0958 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3348 2.3131 -0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7415 1.6845 0.1531 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2413 -0.1091 2.5303 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9548 -0.7494 2.3544 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1026 -1.4937 -1.5175 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5888 0.1963 -1.1965 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7958 -2.3602 0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5071 -1.3752 -1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1753 1.2975 1.1037 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6810 1.2548 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3129 0.8635 -0.6194 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