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
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
-3.8929 -0.0011 0.9382 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4879 0.1692 0.7777 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7586 -0.6891 -0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4316 -1.5794 -0.6400 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3255 -0.5331 -0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3009 0.4261 0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7472 0.6387 0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2890 1.5731 0.8950 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5450 -0.1483 -0.5433 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9436 0.0512 -0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2263 -1.0079 0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1557 0.1630 2.0054 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3787 0.7428 0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1625 -1.2309 -0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2511 1.0807 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1250 0.3589 -1.7307 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5034 -0.8634 -0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2915 0.8494 0.0227 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