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
-3.9265 0.0659 0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5142 -0.1487 0.4875 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7233 0.5386 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2422 1.3094 -1.2751 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2936 0.3672 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2602 -0.4348 0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7015 -0.5937 0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2682 -1.3414 1.3876 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5235 0.0855 -0.3360 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9158 -0.0198 -0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0950 1.1242 0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2660 -0.5874 -0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3553 -0.2030 1.3533 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3257 0.9015 -1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3357 -0.9883 1.2496 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1831 -0.7020 -1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2622 -0.3851 0.6155 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3116 1.0119 -0.5881 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