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
    6.2170    0.7609   -0.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0422    0.0354   -0.0066 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8081    0.5251   -0.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7785    1.6469   -0.9443 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5551   -0.1561   -0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3993    0.3695   -0.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1332   -0.2963   -0.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1838   -1.4208    0.4407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0881    0.2089   -0.5071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2449   -0.5409   -0.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4763    0.1974   -0.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5008    1.5426    0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1612   -1.8622   -0.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3313   -0.7431    1.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3712    1.6308    0.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0848    0.0735   -0.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1836    1.1627   -1.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5891   -1.1076    0.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3561    1.3228   -0.9341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3794   -0.3523   -0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4555    0.3912   -1.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7647    2.1835   -0.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5198    1.9607    0.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1558    1.4717    1.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1808   -2.2521   -1.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6478   -2.6491   -0.3314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5797   -1.6876   -1.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9965   -1.7634    1.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4239   -0.7138    1.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7956    0.0615    1.8317 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