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
3.9044 -0.3920 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5260 -0.1864 -0.1105 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6478 -0.3868 0.9511 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0911 -0.7350 2.0646 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2270 -0.1766 0.7077 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2326 0.1914 -0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6476 0.3974 -0.7024 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0961 0.7460 -1.8149 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5313 0.2063 0.3272 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9068 0.3843 0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1115 -0.1868 1.2056 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5475 0.3128 -0.4469 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2291 -1.4228 -0.0725 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4394 -0.3369 1.5435 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4489 0.3456 -1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2026 1.1893 -0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3133 0.6519 1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3636 -0.6020 -0.0606 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