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
3.8948 -0.0743 -0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4633 -0.0263 -0.1379 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8109 0.4849 0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5112 0.9076 1.9381 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3622 0.5350 1.0356 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3365 0.0865 0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7788 0.1300 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3574 0.5894 1.0618 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5103 -0.3389 -1.0054 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9266 -0.3333 -1.0423 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2384 0.7364 0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1959 0.1605 -1.2291 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2362 -1.0792 0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1495 0.9370 1.9109 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1884 -0.3065 -0.8395 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3636 -1.1741 -0.4718 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2434 0.6475 -0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2351 -0.4257 -2.0994 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