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
    5.9477    0.9023    0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6066    0.4436    0.0797 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5207    1.2943    0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7840    2.5099    0.4280 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1462    0.8282    0.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8981   -0.4399    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5302   -0.9598   -0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621   -2.1574   -0.2355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5037   -0.0756    0.1139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8431   -0.4382    0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6474    0.8468    0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1293    0.5697    0.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2722   -1.1478   -1.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1385   -1.3220    1.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2591    1.3832   -0.8325 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5865   -0.0112    0.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0824    1.5729    0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3457    1.5257    0.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6986   -1.1377   -0.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3872    1.1998    1.3244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3358    1.6228   -0.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5299    0.8585   -0.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3555   -0.5154    0.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6578    1.2046    1.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6014   -0.9502   -2.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2657   -0.7192   -1.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4245   -2.2072   -0.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5492   -0.7276    2.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1921   -1.8304    1.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8348   -2.1227    0.9640 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