Monomers

Butanedioic acid, methyl, diisobutyl ester

Identifiers

IUPAC name
bis(2-methylpropyl) (E)-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-IZZDOVSWSA-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
    4.7266   -0.0193   -1.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7806   -0.2690    0.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7944    0.5715    1.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4591    0.3283    0.8371 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8390   -0.8958    0.9251 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070   -1.8522    1.3850 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4642   -1.1364    0.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3216   -0.2189    0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6960   -0.5612   -0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1340   -1.7322   -0.2195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5407    0.3703   -0.8701 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8486    0.3081   -1.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9364    0.0820   -0.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2977    0.0738   -1.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8740   -1.1127    0.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1653    1.1591   -0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1730    0.1507    0.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5693   -0.5875   -1.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7529   -0.4137   -1.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8194    1.0370   -1.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6722   -1.3454    0.6505 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9773    0.4352    2.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0095    1.6367    0.9801 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0687   -2.1584    0.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8904   -0.5680   -2.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1197    1.2226   -1.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0437    0.9742    0.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4923   -0.9852   -1.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0915    0.4596   -0.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1833    0.6930   -1.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1233   -0.9638    1.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7447   -2.0439   -0.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8655   -1.2087    1.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5902    1.8449   -0.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0619    1.2328   -0.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759    1.6135    0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4130   -0.3285    1.9278 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9399   -0.0430    0.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1247    1.2359    1.1301 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