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
3.9563 0.1156 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5379 0.2590 0.0491 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6776 -0.7655 -0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1358 -1.8427 -0.7515 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2292 -0.5560 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2506 0.5815 0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6725 0.7935 0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1281 1.8724 0.8442 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5360 -0.2275 0.0442 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9197 -0.0671 0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2898 0.0865 -1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4428 0.9196 0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1957 -0.8882 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4347 -1.3724 -0.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4123 1.3771 0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2227 0.8379 0.6797 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4108 -0.1676 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3024 -0.9560 0.7360 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