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
    5.9293   -1.2652   -0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5203   -1.2132   -0.1274 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7734   -0.1387    0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.8468    0.7979 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3210   -0.0927    0.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6559    0.9588    0.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1764    0.9414    0.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4133    1.9639    1.0699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4738   -0.1539    0.1089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8667   -0.1730    0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3457    0.9315   -0.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8560    0.9610   -0.9855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4182   -1.5227   -0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3913    0.0902    1.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3851   -0.2443   -0.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2552   -1.6897    0.8951 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3779   -1.8451   -0.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8133   -0.9439   -0.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1819    1.8064    1.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9464    0.8581   -1.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0524    1.9353   -0.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3125    0.7948   -0.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2176    0.2525   -1.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1489    1.9755   -1.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3597   -1.7344   -1.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9606   -2.2940    0.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5099   -1.5052   -0.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2861   -0.5089    1.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5883    1.1827    1.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6283   -0.1738    2.2065 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