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
    3.9792   -0.0785   -0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5743   -0.2406   -0.2797 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6979    0.7479    0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1510    1.8654    0.4260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2466    0.5165    0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2616   -0.6410   -0.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6952   -0.8278   -0.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2480   -1.9048   -0.6447 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5275    0.2154    0.0602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9352    0.1265    0.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4239   -1.0612   -0.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2940    0.2395   -1.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2818    0.6605    0.5047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4200    1.3352    0.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4406   -1.4221   -0.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3075    1.1429    0.3812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3120   -0.5705    0.8652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3822   -0.1034   -0.8912 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