Monomers
Dimethyl maleate
Identifiers
IUPAC name
dimethyl (Z)-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-ARJAWSKDSA-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
-3.4650 -2.2886 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1896 -1.7166 -0.4508 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6493 -0.7265 0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3242 -0.2792 1.2806 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3274 -0.1775 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1777 0.7820 0.8113 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4953 1.3539 0.5791 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9669 2.2583 1.2947 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3229 0.9206 -0.4714 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6161 1.5087 -0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9920 -2.2695 -1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3253 -3.3434 0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0348 -1.7478 0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2777 -0.5387 -0.7635 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3740 1.1897 1.6472 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4249 0.8418 -0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6220 2.4572 -0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7783 1.7758 -1.7366 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