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
    5.8203   -0.5039    0.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4147   -0.6307    0.2166 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5554    0.2959   -0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0773    1.2896   -0.9001 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1155    0.1664   -0.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4988   -0.8570    0.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0275   -0.9627    0.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5531   -1.9409    0.7535 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690   -0.0065   -0.3659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1523    0.0095   -0.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7137    0.0192    0.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2495    1.2349    1.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7508   -1.1782   -1.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6403    1.2482   -1.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1435   -0.0349   -0.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2462   -1.5279    0.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1898    0.1059    1.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5143    0.9276   -0.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0851   -1.6289    0.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4507   -0.8733    1.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8292    0.0825    0.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8837    1.3156    2.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2213    1.0856    2.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3585    2.1082    1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1864   -1.4699   -2.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625   -0.8712   -1.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9191   -2.0335   -0.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9329    2.0855   -0.9573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6545    1.4686   -0.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6610    1.0760   -2.2367 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