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
    5.7872    0.1770    0.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3760    0.1514    0.1093 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7491    1.1458   -0.6171 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4570    2.0262   -1.1646 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2957    1.1587   -0.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6065    0.2259   -0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1275    0.2626   -0.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4267    1.1678   -0.9486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6760   -0.6578    0.2791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0041   -0.7959    0.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9549    0.1537    0.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0039    1.5526    0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4487   -1.0098   -1.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2956   -2.1602    0.9805 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2611    0.5508   -0.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1513    0.6913    1.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1198   -0.8929    0.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.9466   -1.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0129   -0.5764    0.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9918   -0.2655    0.6298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9860    0.1566    1.9878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0535    1.6051   -0.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0182    1.9928    0.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2132    2.2024    0.7487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1702   -0.1406   -1.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9419   -1.9351   -1.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5344   -1.2290   -1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4296   -2.0136    2.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4259   -2.8374    0.8487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1573   -2.6531    0.4839 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