Monomers
Dimethyl fumarate
Identifiers
IUPAC name
dimethyl (E)-but-2-enedioate
InchI
InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
InchI Key
LDCRTTXIJACKKU-ONEGZZNKSA-N
SMILES
COC(=O)/C=C/C(=O)OC
Canonical SMILES
COC(=O)C=CC(=O)OC
Isomeric SMILES
COC(=O)/C=C/C(=O)OC
Resources
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
-0.1114
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
3.8668 -0.1599 -0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4480 -0.1382 -0.1373 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7169 -1.1077 -0.7761 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2980 -2.0651 -1.3227 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2748 -1.0363 -0.8258 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3394 -0.0147 -0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7961 0.1174 -0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5453 -0.7206 -0.8156 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3837 1.2040 0.3692 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7855 1.3600 0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2686 -1.1872 -0.2982 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1702 0.0621 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3284 0.5808 -0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3380 -1.7887 -1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2526 0.7345 0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2550 0.5697 1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0155 2.3417 0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1659 1.2482 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 3
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
1 11 1 0
1 12 1 0
1 13 1 0
5 14 1 0
6 15 1 0
10 16 1 0
10 17 1 0
10 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers