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
    6.1826   -0.8949    1.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9030   -0.4630   -0.2190 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5217   -0.5696   -0.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0538   -0.1434   -1.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6557   -0.2660   -1.8354 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7269    0.3920   -1.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1230    1.1819   -0.1699 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2883    0.2215   -1.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5955    0.8539   -0.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0165    0.6178   -0.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4122   -0.1758   -1.6142 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0031    1.2485    0.0255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3843    1.0544   -0.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8204   -0.3711    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5535   -0.8585    1.3043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1886   -0.1378    2.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8544   -1.9447    1.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2624   -0.8553    1.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6027   -0.2794    1.8325 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2310   -1.6113   -0.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0811    0.0904    0.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4325    0.8328   -2.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4799   -0.8962   -2.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0385   -0.4587   -1.9925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2402    1.5188    0.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7168    1.4457   -1.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9247    1.6870    0.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4094   -1.0268   -0.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9359   -0.3686   -0.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2976   -0.1357    2.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0174   -0.6562    3.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8446    0.8957    2.4200 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