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
   -6.0261    0.1132    0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6186   -0.0441    0.2707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7561    0.8924   -0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2488    1.9309   -0.7632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3240    0.6539   -0.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8511   -0.4582    0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4122   -0.7321    0.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0511   -1.7675    0.8256 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5054    0.1815   -0.2011 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8830    0.0059   -0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4710   -0.1355    1.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9720   -0.3239    1.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5035    1.2589   -0.8119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3499   -1.1589   -1.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4642   -0.8772    0.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4322    0.4311   -0.6936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2491    0.8303    1.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6042    1.3592   -0.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5106   -1.2122    0.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0708   -1.0154    1.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2353    0.7582    1.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4838    0.6211    0.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2134   -1.1777    0.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3523   -0.5971    2.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7511    2.0014   -0.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7764    1.6939   -1.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4038    0.9903   -1.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3905   -2.1086   -0.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3749   -0.9227   -1.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7088   -1.1909   -1.9427 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