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
    6.1388    1.3620    0.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8002    1.2402    0.8051 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7982    0.6675    0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1101    0.2464   -1.0976 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4257    0.5369    0.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5026   -0.0165   -0.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1104   -0.1602    0.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2558    0.2445    1.3395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8608   -0.7398   -0.5891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1959   -0.9142   -0.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9137    0.3832    0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9100    1.3196   -1.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4313   -1.8489    0.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9013   -1.5154   -1.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5401    0.3627    0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2011    2.0610   -0.5256 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7404    1.7526    1.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1478    0.8932    1.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -0.3698   -1.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9753    0.1630    0.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005    0.8925    0.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0757    1.1071   -1.8166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8677    1.2526   -1.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8272    2.3676   -0.7291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4400   -1.3542    1.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7044   -2.6599    0.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4506   -2.2917    0.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2215   -2.3477   -1.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8762   -0.7471   -2.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8991   -1.8870   -1.2180 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