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
    5.5910    1.0513   -0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2249    0.9403    0.0112 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4824   -0.0168   -0.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9866   -0.7603   -1.5176 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0702   -0.1346   -0.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5064    0.6441    0.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0940    0.4881    0.8149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5257    1.1900    1.6594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6295   -0.4557    0.1424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0067   -0.6919    0.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8340    0.5509    0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6423    0.9949   -1.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4186   -1.7483   -0.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2923   -1.1044    1.7504 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1033    1.3840    0.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9657    0.0515   -0.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7109    1.7887   -1.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4795   -0.8797   -0.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1066    1.3781    1.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6846    1.3488    0.7518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9033    0.2211    0.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3147    0.4215   -2.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8361    2.0698   -1.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6105    0.8189   -1.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5248   -1.7993   -0.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9674   -2.7336   -0.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0668   -1.4066   -1.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -1.0816    2.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9910   -0.4079    2.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7274   -2.1213    1.8276 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