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
    6.3764    0.3452    0.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0629    0.0184    0.5685 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135    0.3179   -0.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3008    0.8969   -1.3553 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678   -0.0347    0.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6199    0.2322   -0.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2610   -0.1239   -0.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1015   -0.6995    0.8238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7925    0.1764   -1.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1242   -0.1388   -0.8055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5316    0.5597    0.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9599    0.2659    0.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0319    0.3583   -1.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2922   -1.6386   -0.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9425    0.6133    1.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4694    1.2053   -0.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8468   -0.5225   -0.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663   -0.5294    1.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929    0.7258   -1.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4915    1.6602    0.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8954    0.3318    1.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0084   -0.6209    1.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3142    1.1228    1.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6395    0.1348   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9655   -0.2094   -1.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2730    1.4312   -1.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5562    0.2126   -2.9281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4156   -1.9918    0.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1980   -1.9752   -1.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4321   -2.1241   -1.2522 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