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
-3.9049 0.2662 0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4908 0.1724 0.1018 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8354 -1.0707 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5923 -2.0747 -0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3914 -1.1650 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3637 -0.0841 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8030 -0.1072 -0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3847 -1.2192 -0.1548 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5585 1.0299 -0.0550 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9618 1.0780 -0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3946 -0.3133 -0.6281 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1388 1.3534 -0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2212 -0.0193 1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0472 -2.1434 -0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1323 0.8976 0.0439 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2658 2.0651 0.3417 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3533 0.2514 0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3637 1.0829 -1.1401 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