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
    5.6565    0.3841    1.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2622    0.6021    0.8108 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5066   -0.4909    0.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9938   -1.6504    0.3278 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0906   -0.3363    0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3158   -1.3596   -0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1007   -1.1486   -0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7896   -2.1426   -0.7734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7018    0.0693   -0.3360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0608    0.3666   -0.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9026   -0.4182    0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5403   -0.0601    1.8102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4469    0.0686   -2.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2159    1.8682   -0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8334   -0.6878    1.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1899    0.6945    0.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9384    1.0488    1.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6371    0.6507    0.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7834   -2.3218   -0.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7810   -1.4849    0.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9808   -0.1664    0.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2423   -0.9883    2.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4485    0.3224    2.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6901    0.6483    1.8732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4992    0.0561   -2.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1902    0.7796   -2.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8471   -0.9713   -2.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2605    2.3874   -1.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1632    1.9858    0.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3463    2.2947    0.2010 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