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
    6.5030   -0.3879    0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1738   -0.6726    0.5820 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0671   -0.1686   -0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2833    0.5662   -1.0786 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7058   -0.4656    0.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7076    0.0485   -0.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3032   -0.2072    0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.9353    1.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7543    0.3204   -0.6843 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1065    0.1551   -0.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5437    0.6461    0.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0041    0.4599    1.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6120   -1.2464   -0.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8607    1.0238   -1.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6825    0.6935    0.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1683   -0.8040    0.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7494   -0.8921   -0.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4874   -1.0940    1.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8611    0.6866   -1.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8998    0.2031    1.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3287    1.7483    0.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3982   -0.5246    0.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5795    1.2861    0.6535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1867    0.6258    2.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0805   -1.7277   -1.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6812   -1.1828   -0.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5834   -1.8356    0.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9436    0.8285   -1.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5089    0.7587   -2.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6377    2.0939   -1.3066 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