Monomers

Fumaric acid, di(2-methoxyethyl) ester

Identifiers

IUPAC name
bis(2-methoxyethyl) (E)-but-2-enedioate
InchI
InChI=1S/C10H16O6/c1-13-5-7-15-9(11)3-4-10(12)16-8-6-14-2/h3-4H,5-8H2,1-2H3/b4-3+
InchI Key
INJVHPRSHKTTBD-ONEGZZNKSA-N
SMILES
COCCOC(=O)/C=C/C(=O)OCCOC
Canonical SMILES
COCCOC(=O)C=CC(=O)OCCOC
Isomeric SMILES
COCCOC(=O)/C=C/C(=O)OCCOC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H16O6
Heavy Atom Count
16
Molecular Weight
232.232
Exact Molecular Weight
232.0947
Valence Electrons
92
Radical Electrons
0
tPSA
71.06
MolLogP
-0.0782
H Bond Acceptors
6
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

 32 31  0  0  0  0  0  0  0  0999 V2000
   -5.3783    1.5259    1.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1848    0.4096    1.7864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2642   -0.7769    1.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2522   -0.8972   -0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9214   -0.8120    0.5262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8717   -0.9114   -0.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1336   -1.0637   -1.6148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4822   -0.8389    0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4633   -0.9356   -0.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8752   -0.8595   -0.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1550   -0.7060    0.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9094   -0.9553   -1.3468 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2504   -0.8816   -0.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5307    0.4463   -0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8823    0.5457    0.0869 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0222    1.8143    0.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6161    1.5848    0.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3327    2.4142    1.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4216    1.5424    0.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2631   -0.9715    0.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0786   -1.6003    1.8125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4069   -0.1687   -0.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3372   -1.9226   -0.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2673   -0.7043    1.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2548   -1.0658   -1.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9431   -1.0427   -1.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4266   -1.6885   -0.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9252    0.7194    0.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4148    1.2896   -1.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    1.9310    1.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7555    2.5391   -0.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0733    2.0403    0.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  3 20  1  0
  3 21  1  0
  4 22  1  0
  4 23  1  0
  8 24  1  0
  9 25  1  0
 13 26  1  0
 13 27  1  0
 14 28  1  0
 14 29  1  0
 16 30  1  0
 16 31  1  0
 16 32  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers