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
cid=

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
    4.0084    0.6841   -0.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.7204   -0.5223 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7645   -0.0361    0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2718   -0.7562    1.1831 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3203   -0.0188    0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5054   -0.7313    0.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9304   -0.6991    0.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7621   -1.3541    1.2457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4160    0.1046   -0.4378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8032    0.1693   -0.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4536   -0.1140   -0.9379 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4046    1.6756   -0.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1746    0.3683    0.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0376    0.6228   -0.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1085   -1.3494    1.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9238    0.5904   -1.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3050   -0.7963   -0.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2181    0.9198    0.0239 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