Monomers

bis(2-methylpropyl) (Z)-2-methylbut-2-enedioate

Identifiers

IUPAC name
bis(2-methylpropyl) (Z)-2-methylbut-2-enedioate
InchI
InChI=1S/C13H22O4/c1-9(2)7-16-12(14)6-11(5)13(15)17-8-10(3)4/h6,9-10H,7-8H2,1-5H3/b11-6-
InchI Key
GSWRSQKYPYOMBE-WDZFZDKYSA-N
SMILES
CC(COC(=O)/C=C(\C(=O)OCC(C)C)/C)C
Canonical SMILES
CC(C)COC(=O)C=C(C)C(=O)OCC(C)C
Isomeric SMILES
CC(C)COC(=O)/C=C(/C)\C(=O)OCC(C)C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C13H22O4
Heavy Atom Count
17
Molecular Weight
242.315
Exact Molecular Weight
242.1518
Valence Electrons
98
Radical Electrons
0
tPSA
52.6
MolLogP
2.3311
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

 39 38  0  0  0  0  0  0  0  0999 V2000
   -5.7501   -1.7073    0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5172   -0.8159    0.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5337   -1.0378   -0.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3623   -0.3456   -0.7075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1454    0.9783   -0.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1002    1.7326   -1.1233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7865    1.5648   -0.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2212    0.7535   -0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5525    1.3851   -0.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7481    2.5964   -0.7995 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6599    0.5849   -0.3781 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9813    1.1499   -0.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9063   -0.0369   -0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3166    0.4976   -0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5012   -0.7682    1.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0697   -0.6943   -0.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8975    0.5700    0.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3380   -2.7032   -0.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3760   -1.2444   -0.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2788   -1.8725    1.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0223   -1.2530    1.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2695   -2.1466   -0.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0895   -0.9781   -1.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7012    2.6101   -1.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1535    1.5607   -1.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0996    1.8897    0.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518   -0.7731   -0.9072 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5694    0.8424   -1.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3152    1.3775    0.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9930   -0.3025    0.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3887   -0.7609    1.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9218   -0.2615    2.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8642   -1.8008    1.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1118   -1.1154   -0.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3100   -1.2409   -1.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4810   -0.9574    0.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4342    1.0814   -0.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1187    1.1737    1.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7137    0.4678    1.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
  8 16  1  0
  2 17  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  3 22  1  0
  3 23  1  0
  7 24  1  0
 12 25  1  0
 12 26  1  0
 13 27  1  0
 14 28  1  0
 14 29  1  0
 14 30  1  0
 15 31  1  0
 15 32  1  0
 15 33  1  0
 16 34  1  0
 16 35  1  0
 16 36  1  0
 17 37  1  0
 17 38  1  0
 17 39  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers