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
    5.9375    0.5386    0.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5537    0.2846    0.4963 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0524   -1.0110    0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9021   -1.9348    0.3921 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6331   -1.2644    0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7632   -0.2801    0.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3358   -0.5361   -0.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0881   -1.7124   -0.1818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6204    0.4440   -0.1033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0134    0.1435   -0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7024    1.4724   -0.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1592    1.4591   -0.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -0.6414    0.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2631   -0.6896   -1.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4053    0.6279   -0.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0094    1.5412    1.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4372   -0.2176    1.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720   -2.2712    0.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1389    0.7282    0.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1921    2.1006   -1.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4510    1.9704    0.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6914    1.8873    0.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6362    0.5120   -0.6783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4352    2.1684   -1.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8636   -0.3187    1.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2617   -1.7157    0.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5180   -0.4954    1.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5957   -0.4751   -2.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2128   -1.7706   -1.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3112   -0.5438   -1.8145 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