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
    6.0161   -0.1577   -0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6214   -0.2100    0.1311 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7188    0.4182   -0.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    1.0981   -1.6450 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2932    0.2988   -0.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3904    0.8913   -1.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0280    0.7717   -0.9794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9016    1.3243   -1.6945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4541    0.0136    0.0852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7933   -0.2112    0.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5974   -0.8862   -0.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0197   -1.1326   -0.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4888    1.0995    0.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7531   -1.0170    1.7523 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3466    0.0319   -1.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4547   -1.1034    0.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3839    0.6653    0.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9822   -0.3160    0.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7561    1.4775   -2.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0761   -1.8245   -0.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6131   -0.2284   -1.4967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2968   -2.1518   -0.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7388   -0.4403   -0.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2290   -1.0579    0.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7987    1.8752    1.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2549    0.8761    1.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0387    1.4458   -0.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9493   -0.5536    2.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6848   -0.9427    2.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4188   -2.0636    1.5680 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