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
    5.9866   -1.0013   -0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -0.9408    0.0639 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8134    0.0877   -0.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4291    0.9959   -1.0898 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3653    0.1364   -0.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6180    1.0861   -0.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1554    1.0870   -0.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5434    2.0160   -1.1112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4855    0.0854    0.0490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8478   -0.0116    0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5844   -0.1024   -1.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0873   -0.2156   -0.8308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0615   -1.2682    1.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4112    1.1271    1.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3908   -0.1317   -0.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3106   -1.9019   -0.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4624   -0.9747    0.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8974   -0.6810    0.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0644    1.8954   -1.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4360    0.8353   -1.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069   -0.9228   -1.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4043   -1.2190   -0.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5626    0.0055   -1.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3841    0.5928   -0.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1130   -1.6020    1.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8350   -1.0185    2.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3766   -2.0779    0.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7343    1.9773    0.4577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6705    1.3994    1.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3239    0.7421    1.5913 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