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
    6.2361    0.6111    0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9203    0.5974    0.5283 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8149    0.2006   -0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0494   -0.1662   -1.4032 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4654    0.1960    0.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4411   -0.1858   -0.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0923   -0.1955    0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0780    0.1773    1.3297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0140   -0.5856   -0.5735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3398   -0.6101   -0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8365    0.7496    0.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8173    1.7595   -0.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2087   -1.2173   -1.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4191   -1.5342    1.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2555    0.8102   -1.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7962    1.3891    0.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7399   -0.3615    0.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3494    0.5224    1.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6053   -0.5004   -1.3979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8531    0.6209    0.7601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2042    1.1220    1.1634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6619    1.6749   -1.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8271    1.7674   -1.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9314    2.7710   -0.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9689   -0.8335   -2.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9467   -2.3127   -1.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2800   -1.1725   -0.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8947   -1.1418    1.9811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9911   -2.4985    0.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4933   -1.6539    1.3936 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