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
    3.8908    0.5839    0.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4872    0.4214    0.2428 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9458   -0.8706    0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -1.8585    0.0150 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5037   -1.0754    0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3349   -0.0541    0.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7917   -0.2582    0.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2876   -1.4049    0.0194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6663    0.8156    0.2399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0638    0.7024    0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1906    0.9951   -0.7168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1431    1.3436    1.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3794   -0.3948    0.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1247   -2.0843   -0.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0949    0.9294    0.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4431   -0.3189    0.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4760    1.4074    0.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4136    1.1209   -0.7638 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