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
    6.4260    0.0981   -0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1733    0.3011    0.5941 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0074   -0.0548   -0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1380   -0.5606   -1.2206 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6864    0.1126    0.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6217   -0.2493   -0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2747   -0.0818    0.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0945    0.4113    1.5205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8565   -0.4550   -0.3160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595   -0.3062    0.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4705    1.1317    0.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8591    1.3471    0.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4296   -1.1726    1.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0633   -0.8606   -0.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    0.3821   -1.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2270    0.6399    0.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6593   -1.0005   -0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5457    0.5378    1.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7536   -0.6739   -1.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4034    1.6539   -0.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7839    1.6562    1.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8472    1.5641    2.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5272    0.4783    0.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3188    2.1914    0.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828   -2.1674    1.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5336   -1.3223    1.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0800   -0.6439    2.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1027   -0.5614   -0.8287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9475   -1.9531   -0.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6386   -0.4423   -1.8824 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