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
    5.6845   -0.2070   -0.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3118   -0.0331   -0.4136 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8398    0.7254    0.6654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6892    1.2253    1.4145 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    0.8824    0.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5458    0.3349    0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1231    0.5383    0.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2397    1.2328    1.2645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8721    0.0239   -0.5005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2433    0.1328   -0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6670   -0.4689    0.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2319   -1.9342    0.9258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9930   -0.6202   -1.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7563    1.5537   -0.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9455   -1.2782   -0.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2801    0.4024    0.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8968    0.0439   -1.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    1.4787    1.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9215   -0.2451   -0.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1572    0.0868    1.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7695   -0.3972    1.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5223   -2.1224    0.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1445   -2.5422    0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7626   -2.1319    1.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3542   -1.4601   -1.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9790   -0.9408   -1.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2181    0.0714   -2.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    1.4942   -0.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6796    1.9837    0.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3039    2.1707   -1.1833 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