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
-3.9378 0.1406 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5336 0.2692 -0.2890 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6668 -0.8150 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1836 -1.9386 -0.5937 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2284 -0.6318 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2673 0.5637 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6952 0.7926 0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1717 1.9217 0.4107 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5515 -0.2881 0.1085 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9669 -0.1176 0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3782 -0.4364 0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3394 1.1898 -0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2259 -0.3527 -1.3815 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4137 -1.4771 -0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3891 1.4169 0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2337 0.7316 -0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1524 0.1058 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4304 -1.0746 -0.0464 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