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
    5.7110   -0.9302    0.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.1631    0.0931 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5736    0.1618    0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0570   -0.8780    0.4725 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8967    1.3081   -0.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6301    1.4528   -0.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5646    0.5426   -0.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6401   -0.5750    0.2212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7779    0.9262   -0.5247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8373    0.0979   -0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1075    0.8628   -0.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3502    0.1010   -0.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9893   -0.1858    1.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8042   -1.2276   -0.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7029   -0.5247    0.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8394   -1.7523   -0.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2203   -1.3113    1.5556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5244    2.1669   -0.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    2.4305   -1.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0174    1.1067   -1.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0471    1.8398   -0.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3488   -0.4948    0.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5551   -0.5596   -1.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1983    0.8285   -0.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6364    0.5999    1.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5730   -1.1258    1.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0526   -0.3371    1.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342   -1.3081   -1.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9013   -2.0952   -0.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6307   -1.2834   -1.6810 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