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
    5.7256   -0.6838    0.9903 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3359   -0.4986    0.7114 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9299    0.5874   -0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8256    1.3667   -0.4634 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5284    0.8304   -0.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5700    0.0287    0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1525    0.2818   -0.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1461    1.2643   -0.9568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8064   -0.5506    0.1654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1556   -0.5104    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9456    0.6030    0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7137    1.9879    0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6660   -1.7615    0.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5976   -0.8629   -1.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9620   -1.7612    1.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0137   -0.1800    1.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3648   -0.2409    0.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2774    1.7029   -0.9726 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8493   -0.8231    0.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8216    0.5720    1.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0543    0.3941    0.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6317    2.1932   -0.9387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8770    2.4730    0.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    2.6213    0.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6072   -1.5642    1.8693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0070   -2.5790    0.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7062   -1.9501    0.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2814   -1.8972   -1.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1891   -0.1805   -2.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7077   -0.8630   -1.3906 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