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

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
    6.0371   -0.5190    0.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6632   -0.2675    0.7101 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7621   -0.9367   -0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2052   -1.8442   -0.8297 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3386   -0.6479   -0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7906    0.2957    0.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    0.5790    0.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1246    1.4681    1.3253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5234   -0.1110   -0.2046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9010    0.1356   -0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6112   -0.0531    1.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0802    0.2484    0.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4853   -0.8499   -1.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1816    1.5686   -0.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4194   -1.1204   -0.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3814   -0.9906    1.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5521    0.4828    0.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7023   -1.2228   -0.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4302    0.8648    1.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2657    0.5932    1.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5384   -1.1347    1.3338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6896   -0.6995    0.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2548    0.8831   -0.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5161    0.8177    1.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7074   -1.8077   -0.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3675   -0.4404   -1.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7283   -1.0732   -2.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5476    2.1972    0.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9144    1.5943   -1.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2113    1.9898   -1.0984 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