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
    6.3884   -0.0529   -0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1275   -0.6424    0.0824 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9996    0.1617   -0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1594    1.3322   -0.5176 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629   -0.3596    0.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6371    0.4380   -0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2863   -0.0974    0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886   -1.2608    0.4967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8084    0.7101   -0.1052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1413    0.3408    0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4923   -0.7925   -0.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9542   -1.2130   -0.6764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9671    1.5945   -0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4721    0.0175    1.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6233    0.7006    0.6231 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1619   -0.8566   -0.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4628    0.4052   -1.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4916   -1.3706    0.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7511    1.4470   -0.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3102   -0.4553   -1.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8698   -1.6517   -0.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6004   -0.6067   -1.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0065   -2.2853   -0.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2179   -1.0535    0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5501    2.4066    0.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0356    1.4398   -0.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7626    1.8245   -1.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3393   -1.0423    1.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8026    0.6098    2.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5101    0.3122    1.7120 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