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
   -6.0288   -0.2328    1.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0122    0.1666    0.6792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7410    0.1411    0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1237   -1.2145    0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8498   -1.1568   -0.4761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7721   -0.4263   -0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9061    0.2747    0.9921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4803   -0.4267   -0.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5150    0.2847   -0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8073    0.2912   -0.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9458   -0.4018   -1.9866 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862    1.0250   -0.5228 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1101    1.0147   -1.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7489   -0.3450   -1.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0102   -0.9116   -0.0518 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8646   -0.1784    0.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1035   -0.1649    2.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7665   -1.3004    2.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4640    0.4703    2.5988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7356    0.5318   -0.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1106    0.8284    0.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7669   -1.8958   -0.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0487   -1.6591    1.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3541   -1.0218   -1.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3465    0.8802    0.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9534    1.3590   -2.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8353    1.7099   -0.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7218   -0.1918   -1.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1829   -1.0684   -1.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4869    0.8405    0.9831 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9087   -0.1451    0.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9405   -0.7162    1.7200 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