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
    6.2570    0.5171   -0.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0526   -0.2373   -0.5881 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414    0.3884   -0.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8645    1.6445   -0.2098 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5685   -0.2993   -0.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4281    0.3309   -0.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1442   -0.3909   -0.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0910   -1.6310   -0.4339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0602    0.2659   -0.0560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3142   -0.3410   -0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3570    0.7338    0.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0450    1.3633    1.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6411   -1.0747   -1.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3922   -1.3341    1.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1252   -0.0934   -0.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3266    0.9837    0.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2005    1.3726   -1.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5520   -1.3620   -0.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4579    1.3983   -0.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3781    0.3208    0.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2903    1.5210   -0.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9323    1.4394    1.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241    0.7175    2.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5348    2.3607    1.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7602   -1.2275   -1.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2061   -2.0896   -1.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3977   -0.5236   -2.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4537   -1.4739    1.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9481   -2.3060    0.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7744   -0.9735    1.9324 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