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
    5.1617   -0.1324   -2.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9988   -0.0762   -2.0603 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9546    0.7391   -0.9432 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9903    1.4081   -0.6662 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7573    0.8198   -0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    0.1001   -0.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4857    0.1783    0.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4832    0.9262    1.3788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6465   -0.5274    0.1082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8520   -0.5405    0.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4200    0.8315    0.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7381    0.9574    1.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7211   -1.0402    2.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8748   -1.4573    0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1175   -1.0562   -3.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3136    0.7514   -3.4829 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0284   -0.2189   -2.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7749    1.4684    0.7365 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7247   -0.5335   -1.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5914    1.1374   -0.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7340    1.5291    1.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1483    1.9663    1.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4834    0.2225    1.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5998    1.0296    2.6230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4217   -0.1911    2.8745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7290   -1.3790    2.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0541   -1.9165    2.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6018   -1.8459    0.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3880   -2.2692   -0.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4909   -0.8808   -0.5939 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