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
    6.0647    0.4332    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6726    0.1649   -0.1563 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6878    0.8140    0.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9812    1.6761    1.4150 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2555    0.5316    0.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8503   -0.3542   -0.5391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4422   -0.6265   -0.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0633   -1.4624   -1.5737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5107    0.0426   -0.0148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8605   -0.2168   -0.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6104    0.7151    0.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0977    0.5362    0.6565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3429   -0.0508   -1.6062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2487   -1.6257    0.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2595    1.5104    0.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5779    0.0565   -0.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4091   -0.1996    0.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5044    1.0595    0.9153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5885   -0.8835   -1.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2907    0.5245    1.8019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    1.7764    0.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3763   -0.5165    0.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5380    1.0101    1.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5218    1.1027   -0.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4688    0.0119   -1.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9141    0.8230   -2.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1460   -0.9933   -2.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2174   -1.9189   -0.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4849   -2.3325   -0.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3450   -1.6079    1.3364 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