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
    4.4954    1.0109    0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5483   -0.0019   -0.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7406   -1.2441   -0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4053   -0.7930    0.0344 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3906   -1.6317    0.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7003   -2.8496    0.5588 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0410   -1.1509    0.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2357    0.1180    0.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6430    0.5257    0.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9620    1.7441    0.5468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5934   -0.3994    1.0706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9380   -0.0601    1.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6319    0.5153    0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0665    0.8202    0.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6316   -0.4321   -1.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7623    1.1376    0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9489   -0.4648   -0.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0597    1.9928    0.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4903    1.2710    0.9262 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8579    0.6420    1.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1381    0.4492   -1.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1707   -1.6740    0.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7224   -1.9737   -1.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7041   -1.8732    0.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958   -0.9537    1.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0330    0.7015    2.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1370    1.4522   -0.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7540    0.0702    0.0559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3848    1.8058    0.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1791    0.8150    1.6355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1950    0.0580   -1.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0745   -1.3633   -0.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6703   -0.7361   -1.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5916    1.2298    0.8004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2038    0.9254   -0.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2394    2.1324   -0.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1544   -1.3624   -0.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7018    0.3348   -0.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9671   -0.7879   -1.9632 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