Monomers

Fumaric acid 1-methyl 4-tert-pentyl ester

Identifiers

IUPAC name
1-O-methyl 4-O-(2-methylbutan-2-yl) (E)-but-2-enedioate
InchI
InChI=1S/C10H16O4/c1-5-10(2,3)14-9(12)7-6-8(11)13-4/h6-7H,5H2,1-4H3/b7-6+
InchI Key
ZUXMGIMZRCLDCZ-VOTSOKGWSA-N
SMILES
COC(=O)/C=C/C(=O)OC(CC)(C)C
Canonical SMILES
CCC(C)(C)OC(=O)C=CC(=O)OC
Isomeric SMILES
CCC(C)(C)OC(=O)/C=C/C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H16O4
Heavy Atom Count
14
Molecular Weight
200.234
Exact Molecular Weight
200.1049
Valence Electrons
80
Radical Electrons
0
tPSA
52.6
MolLogP
1.4474
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

 30 29  0  0  0  0  0  0  0  0999 V2000
    5.9212   -1.2237   -0.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5490   -0.9829   -0.7621 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8113   -0.5900    0.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4293   -0.4653    1.4274 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3818   -0.3407    0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6396    0.0358    1.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2330    0.2793    1.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4538    0.6387    2.1030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4691    0.1466   -0.0901 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8319    0.3815   -0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7067   -0.4910    0.6337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1622   -0.1163    0.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1215    1.8632    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1949    0.1167   -1.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4863   -0.8753   -1.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603   -2.3115   -0.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2924   -0.6985    0.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9084   -0.4662   -0.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1193    0.1586    2.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5829   -1.5248    0.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5437   -0.3203    1.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4087    0.7367    1.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4016   -0.0272   -0.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7646   -0.9843    0.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2075    2.0714    0.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5843    2.2698    0.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7422    2.4392   -0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0530    0.7289   -2.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3178    0.4994   -2.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2857   -0.9476   -1.9107 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
 10 11  1  0
 11 12  1  0
 10 13  1  0
 10 14  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  5 18  1  0
  6 19  1  0
 11 20  1  0
 11 21  1  0
 12 22  1  0
 12 23  1  0
 12 24  1  0
 13 25  1  0
 13 26  1  0
 13 27  1  0
 14 28  1  0
 14 29  1  0
 14 30  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers