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
    3.7719   -0.5172    0.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9347   -0.2832   -0.4167 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5204   -0.1441   -0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1536   -0.2516    0.9143 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7033    0.0941   -1.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5796    0.2409   -1.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825    0.2015   -0.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2629    0.0263    0.8519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8669    0.3942   -0.6453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8374    0.3755    0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7482   -0.0394    0.5114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2963   -0.1882    1.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820   -1.6106    0.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    0.1625   -2.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    0.4178   -2.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8232    0.2397   -0.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6352   -0.4738    1.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8300    1.3555    0.8705 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