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
    6.3011   -0.1095   -0.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0360   -0.6329    0.0768 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8449   -0.0275   -0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8958    1.0157   -0.9669 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5457   -0.5630    0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4327    0.0525   -0.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1440   -0.4826    0.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0522   -1.5330    0.8540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0076    0.1420   -0.2100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3085   -0.2547    0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2487    0.7647   -0.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9898    2.1565    0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6058   -1.5843   -0.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5924   -0.3676    1.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6506    0.6828    0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0223   -0.9523   -0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2824    0.2617   -1.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5251   -1.4532    0.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4825    0.9529   -0.8362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2676    0.4570   -0.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0149    0.7743   -1.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6069    2.8486   -0.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9245    2.4347   -0.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3282    2.2504    1.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3406   -2.4078    0.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7262   -1.6317   -0.6858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0969   -1.6086   -1.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5602   -1.4320    1.8573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9487    0.2753    2.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6479   -0.0285    1.7269 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